SCHEMBL4150839

SCHEMBL4150839

CNC(C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 7/20 0.35
SLC6A4 P31645 7/20 0.35
KCNH2 Q12809 6/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ADRB2 P07550 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR2 O15552 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4832250 1.00 TSHR (0.40) TSHRALDH1A1HTR2ASLC6A4KCNH2
Hydrochloric Acid SCHEMBL5394551 0.98 TSHR (0.38) TSHRALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL4835323 0.85 HTR2A (0.40) ALDH1A1HTR2ASLC6A4KCNH2GPR139
SCHEMBL4835331 0.85 HTR2A (0.40) ALDH1A1HTR2ASLC6A4KCNH2GPR139
SCHEMBL8204393 0.82 ADRB2 (0.42) TSHRALDH1A1GABRA1GABRB1GRN
SCHEMBL15211303 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL4755186 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL15211468 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL178548 0.78 COASY (0.44) ALDH1A1SLC6A4GPR139MEN1KMT2A
SCHEMBL8246636 0.78 COASY (0.44) ALDH1A1SLC6A4GPR139MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US claimed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP claimed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US claimed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
EP-2729147-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION Ferrari, Giulio (IT) 2014-05-14 EP disclosed
WO-2013004766-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION FERRARI GIULIO (IT) 2013-01-10 WO disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 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 (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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 TSHR 764/4885ALDH1A1 614/4885HTR2A 86/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TSHR 40/4885ALDH1A1 4078/4885HTR2A 116/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 TSHR 128/4885ALDH1A1 3463/4885HTR2A 65/4885
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 TSHR 247/4885ALDH1A1 2980/4885HTR2A 63/4885
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D TSHR 362/4885ALDH1A1 1543/4885HTR2A 14/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 TSHR 2345/4885ALDH1A1 370/4885HTR2A 3228/4885

“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.