SCHEMBL417687

SCHEMBL417687

CCCCc1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
LPL P06858 3/20 0.49
LIPG Q9Y5X9 3/20 0.49
SKP2 Q13309 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47

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
Formaldehyde SCHEMBL28131136 0.94 TAAR1 (0.53) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL2998787 0.94 CYP1A2 (0.60) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL19304390 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL9802185 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL2442972 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL28656641 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL1577575 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
SCHEMBL5599017 0.92 CYP1A2 (0.61) TAAR1CYP1A2CYP2D6CYP2C19LPL
Propionaldehyde SCHEMBL28761999 0.89 CYP1A2 (0.53) TAAR1CYP1A2CYP2D6CYP2C19LPL
Nitrogen SCHEMBL23668052 0.89 CYP1A2 (0.58) TAAR1CYP1A2CYP2D6CYP2C19LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656638-A2 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2025-12-03 EP disclosed
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 EP disclosed
US-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
CN-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 CN disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 EP disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
CN-1538848-A Novel Benzo-fused heterocycles ������˹ҩƷ��˾ 2004-10-20 CN disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-3992536-A SEDATIVES AND MUSCLE RELAXANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 US disclosed
US-3931185-A SEDATIVES, MUSCLE RELAXANT BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 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 (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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 TAAR1 277/4885CYP1A2 600/4885CYP2D6 886/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TAAR1 4460/4885CYP1A2 23/4885CYP2D6 9/4885
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 TAAR1 3413/4885CYP1A2 537/4885CYP2D6 315/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 TAAR1 3518/4885CYP1A2 3284/4885CYP2D6 4245/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 TAAR1 4602/4885CYP1A2 2179/4885CYP2D6 2394/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 TAAR1 4602/4885CYP1A2 2179/4885CYP2D6 2394/4885

“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.