SCHEMBL3528773

SCHEMBL3528773

NC1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GABRR1 P24046 1/20 0.33
KDM1A O60341 4/20 0.33
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30

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
SCHEMBL1574378 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL21777886 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL21777884 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL1574380 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL3875618 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL25430032 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3GABRR1KDM1A
SCHEMBL22283970 0.91 ALDH1A1 (0.33) CHRM2CHRM1CHRM3GABRR1
SCHEMBL19520745 0.91 ALDH1A1 (0.33) CHRM2CHRM1CHRM3GABRR1
SCHEMBL23091621 0.91 ALDH1A1 (0.33) CHRM2CHRM1CHRM3GABRR1
SCHEMBL15900199 0.91 ALDH1A1 (0.33) CHRM2CHRM1CHRM3GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999745-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2024-06-04 US disclosed
US-20240132520-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-04-25 US disclosed
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 US disclosed
WO-2023229378-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-11-16 US disclosed
EP-4263536-A1 PHARMACEUTICAL COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 EP disclosed
US-11780852-B2 Methods for treating Crohn's disease using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-10 US disclosed
EP-4249489-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF Lg Chem, Ltd. (KR) 2023-09-27 EP disclosed
EP-3193600-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2017-07-26 EP disclosed
US-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 US disclosed
WO-2016191524-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 WO disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160222056-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 US disclosed
WO-2016040505-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2016-03-17 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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 (10 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-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CHRM2 4847/4885CHRM1 4830/4885CHRM3 4788/4885
US-11999745-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM1 1/4885CHRM3 4/4885
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 CHRM2 2/4885CHRM1 4/4885CHRM3 5/4885
US-11780852-B2 Methods for treating Crohn's disease using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile ALPI, TPMT, SLC10A2 CHRM2 1279/4885CHRM1 934/4885CHRM3 1203/4885
US-20160222056-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT CHRM2 2642/4885CHRM1 2442/4885CHRM3 2119/4885
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 CHRM2 4760/4885CHRM1 4390/4885CHRM3 4461/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CHRM2 4766/4885CHRM1 4786/4885CHRM3 4834/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CHRM2 638/4885CHRM1 525/4885CHRM3 256/4885
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK CHRM2 3989/4885CHRM1 2788/4885CHRM3 3520/4885
US-20240132520-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CHRM2 4847/4885CHRM1 4830/4885CHRM3 4788/4885

“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.