SCHEMBL6857578

SCHEMBL6857578

Clc1ccc(C=CCC2CCCCN2CC2CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
CCR2 P41597 6/20 0.38
OPRK1 P41145 5/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRD1 P41143 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 2/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
DRD4 P21917 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL6857579 1.00 SIGMAR1 (0.41) SIGMAR1CCR2OPRK1NPC1CYP1A2
SCHEMBL6857568 1.00 SIGMAR1 (0.41) SIGMAR1CCR2OPRK1NPC1CYP1A2
SCHEMBL6859020 1.00 SIGMAR1 (0.41) SIGMAR1CCR2OPRK1NPC1CYP1A2
SCHEMBL7414359 0.86 HRH3 (0.44) SIGMAR1
SCHEMBL7414355 0.86 HRH3 (0.44) SIGMAR1
SCHEMBL7414542 0.84 DRD2 (0.42) CYP2D6KCNH2
SCHEMBL7414536 0.84 DRD2 (0.42) CYP2D6KCNH2
SCHEMBL7422060 0.81 HTR2A (0.37) SIGMAR1SLC6A3SLC6A4
SCHEMBL7414389 0.81 MAOB (0.35) SIGMAR1NPC1
SCHEMBL7414398 0.81 MAOB (0.35) SIGMAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440997-B2 CARRYING OUT THE RESOLUTION OF (+/-) E-2-(3,4-DICHLOROCINNAMYL)PIPERIDINE VIA THE EUTOMERIC DIASTEREOISOMERIC SALT WITH N-ACETYL-L-PHENYLALANINE, ACYLATING, REDUCING WITH CYCLOPROPANECARBONYL CHLORIDE WARNER-LAMBERT COMPANY 2002-08-27 US claimed
EP-1138327-A1 Use of 2-(arylalkenyl)azacycloalkanes derivatives for treating stress-related gastrointestinal disorders WARNER-LAMBERT COMPANY (US) 2001-10-04 EP claimed
US-20010008897-A1 Carrying out the resolution of (+/-) E-2-(3,4-dichlorocinnamyl)piperidine via the eutomeric diastereoisomeric salt with N-acetyl-L-phenylalanine, acylating, reducing with cyclopropanecarbonyl chloride WARNER-LAMBERT COMPANY 2001-07-19 US claimed
EP-0734379-B1 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF PARKE DAVIS (FR) 2001-03-07 EP claimed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US claimed
US-6787563-B2 ANTIDIARRHEA AGENTS; GASTROINTESTINAL DISORDERS PFIZER INC. 2004-09-07 US disclosed
US-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation WARNER-LAMBERT COMPANY 2003-07-24 US disclosed
EP-1321461-A1 N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
US-6440997-B2 CARRYING OUT THE RESOLUTION OF (+/-) E-2-(3,4-DICHLOROCINNAMYL)PIPERIDINE VIA THE EUTOMERIC DIASTEREOISOMERIC SALT WITH N-ACETYL-L-PHENYLALANINE, ACYLATING, REDUCING WITH CYCLOPROPANECARBONYL CHLORIDE WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
US-6440997-B2 CARRYING OUT THE RESOLUTION OF (+/-) E-2-(3,4-DICHLOROCINNAMYL)PIPERIDINE VIA THE EUTOMERIC DIASTEREOISOMERIC SALT WITH N-ACETYL-L-PHENYLALANINE, ACYLATING, REDUCING WITH CYCLOPROPANECARBONYL CHLORIDE WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
US-6440997-B2 CARRYING OUT THE RESOLUTION OF (+/-) E-2-(3,4-DICHLOROCINNAMYL)PIPERIDINE VIA THE EUTOMERIC DIASTEREOISOMERIC SALT WITH N-ACETYL-L-PHENYLALANINE, ACYLATING, REDUCING WITH CYCLOPROPANECARBONYL CHLORIDE WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
EP-1138327-A1 Use of 2-(arylalkenyl)azacycloalkanes derivatives for treating stress-related gastrointestinal disorders WARNER-LAMBERT COMPANY (US) 2001-10-04 EP disclosed
EP-0968187-A1 (-)E-2-(3,4-DICHLOROCINNAMYL)-1-CYCLOPROPYLMETHYL-PIPERIDINE AND ITS ANTIDIARRHOEAL USE Pfizer Holding France (FR) 2000-01-05 EP disclosed
EP-0968187-A1 (-)E-2-(3,4-DICHLOROCINNAMYL)-1-CYCLOPROPYLMETHYL-PIPERIDINE AND ITS ANTIDIARRHOEAL USE Pfizer Holding France (FR) 2000-01-05 EP disclosed
US-5849760-A 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors INSTITUT DE RECHERCHE JOUVEINAL (FR) 1998-12-15 US disclosed
WO-1998039296-A1 (-)E-2-(3,4-DICHLOROCINNAMYL)-1-CYCLOPROPYLMETHYL-PIPERIDINE AND ITS ANTIDIARRHOEAL USE JOUVEINAL (FR) 1998-09-11 WO disclosed
WO-1998039296-A1 (-)E-2-(3,4-DICHLOROCINNAMYL)-1-CYCLOPROPYLMETHYL-PIPERIDINE AND ITS ANTIDIARRHOEAL USE JOUVEINAL (FR) 1998-09-11 WO disclosed
WO-1998039296-A1 (-)E-2-(3,4-DICHLOROCINNAMYL)-1-CYCLOPROPYLMETHYL-PIPERIDINE AND ITS ANTIDIARRHOEAL USE JOUVEINAL (FR) 1998-09-11 WO disclosed
EP-0734379-A1 NOVEL 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1996-10-02 EP disclosed
WO-1995015948-A1 NOVEL 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (FR) 1995-06-15 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 (2 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-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation DNMT1, TPMT, AZI2 SIGMAR1 142/4885CCR2 2700/4885OPRK1 35/4885
US-20010008897-A1 Carrying out the resolution of (+/-) E-2-(3,4-dichlorocinnamyl)piperidine via the eutomeric diastereoisomeric salt with N-acetyl-L-phenylalanine, acylating, reducing with cyclopropanecarbonyl chloride DNPEP, NAT1, NAALAD2 SIGMAR1 1334/4885CCR2 941/4885OPRK1 1028/4885

“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.