SCHEMBL8306961

SCHEMBL8306961

Cc1ccc(N2CCNCC2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 6/20 0.49
SLC6A3 Q01959 5/20 0.49
F10 P00742 1/20 0.43
ADRB1 P08588 1/20 0.41
MAP4K1 Q92918 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35

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
SCHEMBL13664737 0.92 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3F10ADRB1
SCHEMBL1583560 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3F10HSD11B1
Hydrochloric Acid SCHEMBL1583620 0.85 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3F10HSD11B1
SCHEMBL1583526 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3F10HSD11B1
Hydrochloric Acid SCHEMBL1583904 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3F10ALDH1A1
Hydrochloric Acid SCHEMBL1665462 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3F10HSD11B1
SCHEMBL8257893 0.80 ALDH1A1 (0.42) ADRB1NPC1ALDH1A1MAPTRAB9A
SCHEMBL3656969 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1583516 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL8286227 0.78 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3ADRB1MAP4K1

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 43 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
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 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-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-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-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-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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 (6 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-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SLC6A2 4778/4885SLC6A4 4459/4885SLC6A3 4570/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD SLC6A2 4130/4885SLC6A4 3530/4885SLC6A3 3058/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SLC6A2 4765/4885SLC6A4 4379/4885SLC6A3 4509/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SLC6A2 4778/4885SLC6A4 4459/4885SLC6A3 4570/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SLC6A2 4778/4885SLC6A4 4459/4885SLC6A3 4570/4885
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SLC6A2 4778/4885SLC6A4 4459/4885SLC6A3 4570/4885

“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.