Sugi Predict

Sugi Predict / Compounds / SCHEMBL2082902

SCHEMBL2082902

SCHEMBL2082902

N#CC1(N)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ JAK2 O60674 3/20 0.52
▸ JAK1 P23458 3/20 0.52
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL5361998 0.92 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL26688804 0.85 SMN1; SMN2 (0.48) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3706424 0.85 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL23276772 0.85 JAK2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1290934 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16639869 0.83 OPRM1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1290587 0.83 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1709936 0.82 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL6984069 0.82 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL56293 0.81 OPRD1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 — — WO disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 — — WO disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 — — WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US disclosed
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 — — US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 — — US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 — — US disclosed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 — — US disclosed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 — — US disclosed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 — — US disclosed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 — — US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 — — EP disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 — — EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 — — US disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 — — 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-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MEN1 3507/4885KMT2A 4489/4885NPSR1 1843/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MEN1 3318/4885KMT2A 4513/4885NPSR1 1854/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MEN1 3318/4885KMT2A 4513/4885NPSR1 1854/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MEN1 3625/4885KMT2A 4439/4885NPSR1 1799/4885
US-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 MEN1 4298/4885KMT2A 708/4885NPSR1 4485/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MEN1 3318/4885KMT2A 4513/4885NPSR1 1854/4885

“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.