SCHEMBL720143

SCHEMBL720143

C1CCCC(C2CCCCCCO2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PDK1 Q15118 1/20 0.31

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
SCHEMBL29246043 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL83981 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL254634 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL60113 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9093899 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31290858 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL25381565 0.97 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL9834733 0.97 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL9674541 0.97 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27412184 0.97 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 US claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
EP-4317147-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2024-02-07 EP claimed
CN-117355515-A Piperazine derivatives and their use 广州白云山医药集团股份有限公司白云山制药总厂 2024-01-05 CN claimed
WO-2022228317-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF 广州白云山医药集团股份有限公司白云山制药总厂 2022-11-03 WO claimed
WO-2022203466-A1 NOVEL PHENYLAMINOPYRIMIDINE COMPOUND HAVING INHIBITORY ACTIVITY AGAINST LRRK2 AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO claimed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US claimed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP claimed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN claimed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US claimed
WO-2012175520-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2012-12-27 WO claimed
CN-101203516-A Purine and imidazopyridine derivatives for immunosuppression PHARMACOPEIA INC (US) 2008-06-18 CN claimed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US claimed
US-6808762-B2 Oxabicyclooctanes MERCK PATENT GMBH (DE) 2004-10-26 US claimed
US-20030215580-A1 Oxabicyclooctanes MERCK PATENT GMBH (DE) 2003-11-20 US claimed
US-4263208-A FROM DIENE, ALDEHYDE, GRIGNARD REAGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-21 US claimed
US-4242269-A DIELS-ALDER REACTION, GRIGNARD REAGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-12-30 US claimed
US-4224176-A Use of 2-oxabicyclooctane derivatives in augmenting or enhancing the aroma of detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-09-23 US claimed
US-4208308-A 2-Oxabicyclooctane derivatives in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-17 US claimed
US-4206092-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-03 US claimed

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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CHRM2 522/4885CHRM4 2012/4885CHRM5 1009/4885
US-20030215580-A1 Oxabicyclooctanes CCNT1, OXA1L, CCNA1 CHRM2 111/4885CHRM4 927/4885CHRM5 1262/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CHRM2 522/4885CHRM4 2012/4885CHRM5 1009/4885
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 CHRM2 2839/4885CHRM4 3868/4885CHRM5 2539/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CHRM2 752/4885CHRM4 2516/4885CHRM5 1259/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 CHRM2 1295/4885CHRM4 1943/4885CHRM5 1316/4885

“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.