SCHEMBL447607

SCHEMBL447607

CN(C)CCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TAAR1 Q96RJ0 2/20 0.43
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL6455349 0.88 CYP3A4 (0.46) CYP3A4TDP1TAAR1HTR2AHRH1
SCHEMBL10790182 0.87 CYP3A4 (0.60) CYP3A4TDP1TAAR1HTR2AHRH1
SCHEMBL9549821 0.86 SIGMAR1 (0.47) CYP3A4TDP1TAAR1HTR2AHRH1
Bromide SCHEMBL4353499 0.86 CYP3A4 (0.44) CYP3A4TDP1TAAR1HTR2AHRH1
1,2-Dibromoethane SCHEMBL28837174 0.79 TDP1 (0.71) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL9549741 0.79 CYP3A4 (0.50) CYP3A4TDP1TAAR1HTR2AHRH1
SCHEMBL9549561 0.79 CYP3A4 (0.50) CYP3A4TDP1TAAR1HTR2AHRH1
Dimethylaminoethanol SCHEMBL134026 0.79 MAPT (0.50) CYP3A4TDP1TAAR1HTR2AHRH1
SCHEMBL9549846 0.79 TDP1 (0.44) CYP3A4TDP1HTR2AHRH1ESR1
N-Propyl Bromide SCHEMBL1400032 0.78 TDP1 (0.60) CYP3A4TDP1ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120201803-A1 3-SUBSTITUTED COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2012-08-09 US claimed
WO-2012037362-A2 PROCESS FOR SOLID ELECTROLYTIC CAPACITORS USING POLYMER SLURRIES KEMET ELECTRONICS CORPORATION (US) 2012-03-22 WO claimed
US-20120063063-A1 PROCESS FOR SOLID ELECTROLYTIC CAPACITORS USING POLYMER SLURRIES KEMET ELECTRONICS CORPORATION (US) 2012-03-15 US claimed
CN-114496571-A Method for producing electrolytic capacitor 钰邦科技股份有限公司 2022-05-13 CN disclosed
EP-3156387-B1 METHOD OF PREPARING INDENE DERIVATIVES AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-07-25 EP disclosed
EP-3156387-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS Aquinox Pharmaceuticals (Canada) Inc. (CA) 2017-04-19 EP disclosed
EP-2277848-B1 Indene derivatives as pharmaceutical agents AQUINOX PHARMACEUTICALS CANADA INC (CA) 2016-09-14 EP disclosed
US-20150307426-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2015-10-29 US disclosed
US-20140371252-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2014-12-18 US disclosed
US-8673975-B2 Indene derivatives as pharmaceutical agents AQUINOX PHARMACEUTICALS INC. (CA) 2014-03-18 US disclosed
US-8546448-B2 3-substituted compounds for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-01 US disclosed
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 WO disclosed
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 US disclosed
EP-0441243-A2 Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions THE DOW CHEMICAL COMPANY (US) 1991-08-14 EP disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 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 (3 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-20150307426-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSRR, INSR, IDO1 CYP3A4 38/4885TDP1 1586/4885TAAR1 1766/4885
US-20120201803-A1 3-SUBSTITUTED COMPOUNDS FOR REDUCING URIC ACID XDH, NLRP3, ASIC3 CYP3A4 2472/4885TDP1 2123/4885TAAR1 2182/4885
US-20140371252-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSRR, INSR, IDO1 CYP3A4 38/4885TDP1 1586/4885TAAR1 1766/4885

“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.