SCHEMBL7410376

SCHEMBL7410376

C(=Cc1ccccc1)CC1CCCCN1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CHRM1 P11229 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM3 P20309 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD2 P14416 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
SCHEMBL7414839 1.00 SIGMAR1 (0.46) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7407659 1.00 SIGMAR1 (0.46) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7415278 0.96 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7415285 0.96 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7078130 0.96 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7078706 0.96 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7415431 0.96 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7078128 0.96 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7078708 0.96 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BKDM4E
SCHEMBL7409859 0.92 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 disclosed
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 disclosed
EP-0995436-A2 Ligands for sigma receptors and their therapeutical applications PARKE-DAVIS (FR) 2000-04-26 EP disclosed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US disclosed
US-5849760-A 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors INSTITUT DE RECHERCHE JOUVEINAL (FR) 1998-12-15 US 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 (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-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 1334/4885HTR2A 1987/4885HTR2C 1917/4885

“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.