SCHEMBL3212475

SCHEMBL3212475

COc1ccccc1CCC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
TSHR P16473 1/20 0.55
SIGMAR1 Q99720 1/20 0.51
AOC3 Q16853 1/20 0.51
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
IDO1 P14902 2/20 0.48
ABCB1 P08183 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3204291 0.81 L3MBTL1 (0.51) TSHRALDH1A1GAAMAPT
SCHEMBL28858018 0.81 TAAR1 (0.75) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL834561 0.81 TAAR1 (0.58) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL3299435 0.80 TSHR (0.38) TAAR1TSHRSIGMAR1AOC3KCNH2
SCHEMBL198463 0.80 IDO1 (0.52) TAAR1TSHRSIGMAR1AOC3IDO1
SCHEMBL8764227 0.79 MEN1 (0.52) TSHRALDH1A1
SCHEMBL3217269 0.78 KMT2A (0.45) TAAR1TSHRCA12CA1CA2
SCHEMBL13531144 0.78 CYP1A2 (0.49) TSHRALDH1A1MAPT
SCHEMBL28399606 0.77 TSHR (0.43) TAAR1TSHRCHRM2CHRM1CHRM3
SCHEMBL7831226 0.77 TAAR1 (0.69) TAAR1SIGMAR1AOC3KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114248574-A Application of thermo-reversible piezochromic dye in inkless printing technology 天津理工大学 2022-03-29 CN claimed
CN-107200729-B Preparation method of 4- (2-methoxyphenyl) -5- (2-pyridyl) -3-aminoisoxazole 无锡捷化医药科技有限公司 2020-03-17 CN claimed
CN-114248574-A Application of thermo-reversible piezochromic dye in inkless printing technology 天津理工大学 2022-03-29 CN disclosed
CN-112830931-A Process for the preparation of asenapine 浙江奥翔药业股份有限公司 2021-05-25 CN disclosed
CN-110606852-B Process for the preparation of asenapine 浙江奥翔药业股份有限公司 2021-02-05 CN disclosed
CN-109485757-B Polypropylene containing nitrile group and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2021-01-12 CN disclosed
CN-107200729-B Preparation method of 4- (2-methoxyphenyl) -5- (2-pyridyl) -3-aminoisoxazole 无锡捷化医药科技有限公司 2020-03-17 CN disclosed
CN-110606852-A Process for the preparation of asenapine 浙江奥翔药业股份有限公司 2019-12-24 CN disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TAAR1 45/4885TSHR 412/4885SIGMAR1 279/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAAR1 46/4885TSHR 62/4885SIGMAR1 158/4885

“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.