SCHEMBL21045816

SCHEMBL21045816

Nc1ccc(C2=CCN(C(=O)O)CC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GRM1 Q13255 7/20 0.39
GRM5 P41594 5/20 0.39
NPC1 O15118 2/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 1/20 0.36
QDPR P09417 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL16432253 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GRM1GRM5NPC1
SCHEMBL27802397 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GRM1GRM5NPC1
SCHEMBL30439311 0.81 GRM1 (0.59) GRM1GRM5NAMPT
SCHEMBL15176153 0.81 GRM1 (0.59) GRM1GRM5NAMPT
SCHEMBL29668566 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GRM1GRM5NPC1
SCHEMBL28538259 0.77 NAMPT (0.39) ALDH1A1SMN1; SMN2GRM1GRM5NPC1
SCHEMBL16679148 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL610396 0.76 QDPR (0.46) QDPR
SCHEMBL27762102 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL21045716 0.74 LIMK1 (0.39) ALDH1A1SMN1; SMN2MAPTQDPR

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
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
CN-116940563-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-10-24 CN disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
CN-116583283-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-08-11 CN disclosed
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-27 US disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 EP disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
EP-3752503-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US 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 (8 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ALDH1A1 2006/4885SMN1; SMN2 2918/4885GRM1 3862/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ALDH1A1 1982/4885SMN1; SMN2 3310/4885GRM1 3899/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 ALDH1A1 2006/4885SMN1; SMN2 2918/4885GRM1 3862/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ALDH1A1 2006/4885SMN1; SMN2 2918/4885GRM1 3862/4885
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 ALDH1A1 2921/4885SMN1; SMN2 1955/4885GRM1 2718/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 ALDH1A1 2006/4885SMN1; SMN2 2918/4885GRM1 3862/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 ALDH1A1 3340/4885SMN1; SMN2 3612/4885GRM1 3439/4885
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals CDK6, CDK1, CDK3 ALDH1A1 2921/4885SMN1; SMN2 1955/4885GRM1 2718/4885

“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.