SCHEMBL230672

SCHEMBL230672

CC(C)(C#N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
CYP2D6 P10635 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
KCNN4 O15554 3/20 0.39
GRM1 Q13255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.38
TSHR P16473 3/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL6563317 0.86 KIF11 (0.41) MAPK1CYP2D6DRD3CYP3A4ALDH1A1
SCHEMBL1592771 0.82 JAK2 (0.44) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL7030622 0.81 MAPK1 (0.46) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL14059543 0.81 CYP2D6 (0.42) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL11044204 0.79 KIF11 (0.52) MAPK1CYP2D6DRD3CYP3A4ALDH1A1
SCHEMBL1021158 0.79 GRM1 (0.49) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL5875525 0.79 MAPK1 (0.44) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL6225960 0.78 MAPK1 (0.48) MAPK1CYP3A4ALDH1A1TAAR1ALOX15
SCHEMBL307338 0.77 TSHR (0.52) ALDH1A1ATMESR1ESR2GRM1
SCHEMBL20629458 0.77 CYP2D6 (0.42) MAPK1CYP2D6DRD2DRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279982-B Binder for silicon-based negative electrode and lithium ion battery containing same 珠海冠宇电池股份有限公司 2023-02-03 CN claimed
CN-106380441-B Synthetic method of fexofenadine intermediate 上海雅本化学有限公司 2020-08-14 CN claimed
CN-109809962-A A kind of new synthetic method of 2- (4- bromomethyl) phenylpropionic acid 盘锦格林凯默科技有限公司 2019-05-28 CN claimed
EP-3194569-A1 DIFFERENTIATION OF HEPATOCYTE-LIKE CELLS FROM STEM CELLS Agency For Science, Technology And Research (SG) 2017-07-26 EP claimed
CN-106380441-A Synthetic method of fexofenadine intermediate 上海雅本化学有限公司 2017-02-08 CN claimed
WO-2016043666-A1 DIFFERENTIATION OF HEPATOCYTE-LIKE CELLS FROM STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO claimed
JP-2007512250-A 2007-05-17 JP claimed
US-7183305-B2 Process for the synthesis of imidazoles ALLERGAN, INC. (US) 2007-02-27 US claimed
EP-1682517-A1 PROCESS FOR THE SYNTHESIS OF IMIDAZOLES Allergan, Inc. (US) 2006-07-26 EP claimed
WO-2005047267-A1 PROCESS FOR THE SYNTHESIS OF IMIDAZOLES ALLERGAN, INC. (US) 2005-05-26 WO claimed
US-20050101785-A1 Process for the synthesis of imidazoles ALLERGAN, INC. 2005-05-12 US claimed
EP-0924196-B1 Process for the alkylation of alkyl- or benzonitrile in the presence of trialkyl amines or phosphines AVENTIS PHARMA GMBH (DE) 2003-06-18 EP claimed
US-6143896-A ALKYLATION OF NITRILE COMPOUND WITH SUBSTITUTED OR UNSUBSTITUTED ALKYL HALIDE OR DIALKYLSULFATE IN PRESENCE OF TRIALKYLOR ARYL AMINE OR PHOSPHINE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-07 US claimed
EP-0924196-A1 Process for the alkylation of alkyl- or benzonitrile in the presence of trialkyl amines or phosphines Hoechst Marion Roussel Deutschland GmbH (DE) 1999-06-23 EP claimed
JP-11263766-A None JP disclosed
CN-117659017-B TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2026-05-15 CN disclosed
US-20260116910-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH BEIJING BIOPHARMA TECH CO LTD (CN) 2026-04-30 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed
US-4787933-A Herbicide compositions containing a nitrile derivative as antidote ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1988-11-29 US disclosed
US-4136156-A HYDROGEN CYANIDE, HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-23 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 (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-20050101785-A1 Process for the synthesis of imidazoles LSS, SI, NISCH MAPK1 1084/4885CYP2D6 230/4885DRD2 1990/4885
US-20260116910-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF NR1H3, NR1H2, CPT1A MAPK1 2603/4885CYP2D6 565/4885DRD2 3063/4885

“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.