Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000983

SCHEMBL2000983

SCHEMBL2000983

CC(C)(C)OC(=O)N1CCc2cc(N3CCCCC3=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.47
▸ F10 P00742 5/20 0.46
▸ MPO P05164 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.42
▸ TP53 P04637 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2002267 0.99 DHODH (0.46) DHODHF10MPOBRD4GPR119
SCHEMBL12359612 0.91 CHRM4 (0.47) DHODHF10MPOCHRM4DRD2
SCHEMBL2001413 0.90 CHRM4 (0.46) DHODHF10MPOCHRM4DRD2
SCHEMBL28753738 0.82 ALDH1A1 (0.49) F10TP53ALDH1A1
SCHEMBL25336636 0.81 DDB1 (0.48) DHODHMPOBRD4GPR119CHRM4
SCHEMBL29506995 0.81 DDB1 (0.48) DHODHMPOBRD4GPR119CHRM4
SCHEMBL27610840 0.81 F10 (0.49) F10TP53KDM4EALDH1A1
SCHEMBL27749597 0.81 ALDH1A1 (0.43) F10GPR119TP53KDM4EALDH1A1
SCHEMBL28774208 0.80 F10 (0.42) F10TP53KDM4EALDH1A1
SCHEMBL30681471 0.79 DRD3 (0.46) DHODHBRD4GPR119CHRM4DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 — — CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 — — US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 — — US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 — — US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — US disclosed
US-8470854-B2 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-25 — — US disclosed
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 — — US disclosed
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 — — US disclosed
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 — — US disclosed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 — — US disclosed
EP-1427415-A4 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-02 — — EP disclosed
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 — — US disclosed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 — — US disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US disclosed
EP-1427415-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-06-16 — — EP disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 — — US disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3473/4885F10 45/4885MPO 217/4885
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3473/4885F10 45/4885MPO 217/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3452/4885F10 43/4885MPO 227/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 DHODH 3473/4885F10 45/4885MPO 217/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 DHODH 3496/4885F10 43/4885MPO 270/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3473/4885F10 45/4885MPO 217/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 DHODH 3452/4885F10 43/4885MPO 227/4885
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, F2, TFPI DHODH 2385/4885F10 62/4885MPO 505/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 DHODH 3473/4885F10 45/4885MPO 217/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3452/4885F10 43/4885MPO 227/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 DHODH 3452/4885F10 43/4885MPO 227/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 DHODH 2837/4885F10 33/4885MPO 197/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.