SCHEMBL1574380

SCHEMBL1574380

NC1CC2CCC(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
SCHEMBL3528773 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
WO-2024053650-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST DIACYLGLYCEROL KINASE α AND/OR ζ, AND PHARMACEUTICAL USE THEREOF 小野薬品工業株式会社 2024-03-14 WO disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
CN-116478132-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN disclosed
WO-2023135508-A1 PYRROLO[1,2-b]-2-PYRIDAZINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2023-07-20 WO disclosed
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
CN-115485023-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-16 CN disclosed
US-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 US disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-6855724-B2 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1492789-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS Pfizer Limited (GB) 2005-01-05 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 US disclosed
WO-2003084954-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2003-10-16 WO disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed
US-6531484-B2 Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS MERCK & CO., INC. 2003-03-11 US disclosed
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-26 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 (7 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-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 CHRM2 3889/4885CHRM1 4408/4885CHRM3 3658/4885
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 CHRM2 3114/4885CHRM1 3241/4885CHRM3 3279/4885
US-20040014742-A1 Antiinflammatory agents; viricides CCR5, CXCR1, CCR1 CHRM2 422/4885CHRM1 251/4885CHRM3 464/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CHRM2 50/4885CHRM1 53/4885CHRM3 55/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB CHRM2 4778/4885CHRM1 4768/4885CHRM3 4812/4885
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CCL5 CHRM2 305/4885CHRM1 191/4885CHRM3 395/4885
US-20050131011-A1 Chemical compounds CCR5, CCR2, CX3CR1 CHRM2 417/4885CHRM1 392/4885CHRM3 502/4885

“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.