SCHEMBL100361

SCHEMBL100361

OC(c1ccccc1)(c1ccccc1)C1CCCN1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.96
MAPK1 P28482 2/20 0.96
KDM4E B2RXH2 1/20 0.96
NPC1 O15118 1/20 0.96
CYP1A2 P05177 1/20 0.96
HPGD P15428 1/20 0.96
CYP2C19 P33261 1/20 0.96
RAB9A P51151 1/20 0.96
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
HRH1 P35367 1/20 0.53
SCN1A P35498 1/20 0.53
KMT2A Q03164 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM3 P20309 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL100360 1.00 CYP2D6 (0.96) CYP2D6MAPK1KDM4ENPC1CYP1A2
SCHEMBL239738 1.00 CYP2D6 (0.96) CYP2D6MAPK1KDM4ENPC1CYP1A2
SCHEMBL8136171 0.98 CYP2D6 (0.93) CYP2D6MAPK1KDM4ENPC1CYP1A2
SCHEMBL7446968 0.98 CYP2D6 (0.93) CYP2D6MAPK1KDM4ENPC1CYP1A2
Hydrochloric Acid SCHEMBL9277459 0.98 CYP2D6 (1.00) CYP2D6MAPK1KDM4ENPC1CYP1A2
Pipradrol SCHEMBL156360 0.95 CYP2D6 (0.87) CYP2D6MAPK1KDM4ENPC1CYP1A2
Pipradrol SCHEMBL4057811 0.93 CYP2D6 (0.90) CYP2D6MAPK1KDM4ENPC1CYP1A2
Sulfuric Acid SCHEMBL9452303 0.92 CYP2D6 (0.82) CYP2D6MAPK1KDM4ENPC1CYP1A2
SCHEMBL6295242 0.90 CYP2D6 (0.79) CYP2D6MAPK1KDM4ENPC1CYP1A2
SCHEMBL5054811 0.90 CYP2D6 (0.79) CYP2D6MAPK1KDM4ENPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP claimed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP claimed
EP-3344602-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PAROXETINE AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2018-07-11 EP claimed
US-20170267706-A1 METHOD FOR THE SYNTHESIS OF HETEROCYCLIC HYDROGEN PHOSPHINE OXIDE STRAITMARK HOLDING AG (CH) 2017-09-21 US claimed
EP-3183258-A1 METHOD FOR THE SYNTHESIS OF HETEROCYCLIC HYDROGEN PHOSPHINE OXIDE Straitmark Holding AG (CH) 2017-06-28 EP claimed
WO-2017037662-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PAROXETINE AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2017-03-09 WO claimed
WO-2016026871-A1 METHOD FOR THE SYNTHESIS OF HETEROCYCLIC HYDROGEN PHOSPHINE OXIDE STRAITMARK HOLDING AG (CH) 2016-02-25 WO claimed
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2014-10-30 US claimed
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2013-06-13 US claimed
EP-2398774-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Corporation (US) 2011-12-28 EP claimed
EP-1147099-A1 EPOXIDATION PROCESS USING AMINE CATALYSTS The University of Sheffield (GB) 2001-10-24 EP claimed
WO-2000044735-A1 EPOXIDATION PROCESS USING AMINE CATALYSTS THE UNIVERSITY OF SHEFFIELD (GB) 2000-08-03 WO claimed
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP claimed
US-5925666-A DOPAMINE UPTAKE INHIBITORS; DRUG ABUSE AND DEPENDENCE, EATING DISORDERS, ATTENTION DEFICIT DISORDER, TOURETTE*S SYNDROME, GAMBLING GUILFORD PHARMACEUTICALS INC. (US) 1999-07-20 US claimed
EP-0794957-B1 METHOD OF PRODUCING OPTICALLY ACTIVE METALLOCENYL PHOSPHINES LONZA AG (CH) 1999-04-21 EP claimed
WO-1999003467-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE DISORDERS USING PYRROLIDINE DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-01-28 WO claimed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP claimed
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO claimed
WO-1997024030-A1 PYRROLIDINE DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1997-07-10 WO claimed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO 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 (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-20170267706-A1 METHOD FOR THE SYNTHESIS OF HETEROCYCLIC HYDROGEN PHOSPHINE OXIDE PNPO, OXSR1, PPOX CYP2D6 947/4885MAPK1 1540/4885KDM4E 2435/4885
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CYP2D6 180/4885MAPK1 802/4885KDM4E 1441/4885
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CYP2D6 180/4885MAPK1 802/4885KDM4E 1441/4885

“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.