SCHEMBL198463

SCHEMBL198463

COc1ccccc1CC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CHRM2 P08172 4/20 0.50
TSHR P16473 1/20 0.50
CHRM1 P11229 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
BCHE P06276 2/20 0.44

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
Ammonia Solution, Strong SCHEMBL3938120 0.91 IDO1 (0.44) IDO1TAAR1CHRM2TSHRCHRM1
Anisole SCHEMBL28263383 0.91 CA4 (0.48) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL10711525 0.89 IDO1 (0.46) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL8595493 0.89 HTT (0.47) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL8052814 0.86 HTR7 (0.47) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL8595893 0.83 ABCB1 (0.43) IDO1TAAR1TSHRALDH1A1GAA
SCHEMBL506269 0.82 NPC1 (0.40) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL12683187 0.82 TSHR (0.40) IDO1TAAR1CHRM2TSHRCHRM1
SCHEMBL4160051 0.82 SMN1; SMN2 (0.46) TSHRALDH1A1GAACA1CA2
SCHEMBL8591079 0.82 ABCB1 (0.46) IDO1ALDH1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290242-A Synthesis method of chickpea sprout element A intermediate 浙江广厦建设职业技术大学 2024-07-05 CN claimed
CN-112920062-B Method for synthesizing venlafaxine by utilizing fixed bed hydrogenation equipment 合肥立方制药股份有限公司 2024-04-02 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 claimed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 US claimed
CN-103483210-B A kind of new compound and preparation method thereof CHENGDU HONGDA PHARMACEUTICAL CO., LTD. (CN) 2016-01-13 CN claimed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP claimed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP claimed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP claimed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP claimed
EP-1896492-B1 PLATINUM COMPLEXES WITH MONONITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS INC (US) 2014-03-19 EP claimed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP claimed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP claimed
CN-1267410-C Process for preparing cyclohexanol derivatives WYETH CORP (US) 2006-08-02 CN claimed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP claimed
CN-1531524-A Process for preparing cyclohexanol derivatives 2004-09-22 CN claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed
WO-2003050074-A1 MANUFACTURE OF VENLAFAXINE HYDROCHLORIDE AND CRYSTALLINE POLYMORPHS THEREOF CADILA HEALTHCARE LIMITED (IN) 2003-06-19 WO claimed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO claimed
US-5220019-A Process for the preparation of diethyl 2-]2-cyano-5-(dimethylamino)-2-(3-methoxyphenyl)-1,1-dimethylpentyl]propandioate G. D. SEARLE & CO. (US) 1993-06-15 US claimed
EP-0448972-A2 Process for preparation of 3-aryl-3-aminoalkyl-2,6-dioxohexahydropyridines G.D. Searle & Co. (US) 1991-10-02 EP 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 (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-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS IDO1 857/4885TAAR1 1782/4885CHRM2 3523/4885
US-20160068506-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 IDO1 4816/4885TAAR1 4859/4885CHRM2 4782/4885

“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.