SCHEMBL3962949

SCHEMBL3962949

Clc1ccc(CC2CCNCC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.51
SLC6A2 P23975 11/20 0.51
SLC6A3 Q01959 2/20 0.51
GBA1 P04062 1/20 0.44
IDO1 P14902 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3962184 0.86 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3GBA1
SCHEMBL28086989 0.83 FPR2 (0.48) SLC6A4SLC6A2SLC6A3GBA1
SCHEMBL8019802 0.83 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3GBA1MAPK1
SCHEMBL6851315 0.80 SLC6A4 (0.48) SLC6A4SLC6A2GBA1
SCHEMBL16657602 0.80 FPR2 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL18404180 0.80 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3GBA1KCNH2
SCHEMBL31071558 0.80 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3GBA1MAPK1
SCHEMBL3962945 0.79 IDO1 (0.44) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL14223695 0.79 KDM4E (0.45) SLC6A4SLC6A2SLC6A3IDO1CYP2D6
SCHEMBL3161884 0.79 GBA1 (0.56) SLC6A4SLC6A2SLC6A3GBA1CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 EP disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
EP-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 EP disclosed
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 EP disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 US disclosed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 EP disclosed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 WO 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 (1 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R SLC6A4 2513/4885SLC6A2 3349/4885SLC6A3 3674/4885

“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.