SCHEMBL5199646

SCHEMBL5199646

N#CC1(N2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.55
SIGMAR1 Q99720 5/20 0.53
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MC4R P32245 1/20 0.46
TMEM97 Q5BJF2 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.46
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNA3 P22001 1/20 0.45
OPRL1 P41146 1/20 0.44

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
SCHEMBL14836350 1.00 OPRM1 (0.55) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL18458358 0.95 OPRM1 (0.56) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL22441511 0.92 OPRM1 (0.59) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL21337177 0.90 OPRM1 (0.46) OPRM1SIGMAR1CYP3A4HSD17B10TMEM97
SCHEMBL4031096 0.88 OPRM1 (0.58) OPRM1SIGMAR1CYP3A4HSD17B10HRH3
SCHEMBL2335642 0.87 OPRM1 (0.60) OPRM1SIGMAR1CYP3A4HSD17B10TSHR
SCHEMBL18458363 0.86 OPRM1 (0.52) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL3523156 0.86 OPRM1 (0.52) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL14279621 0.86 MC4R (0.59) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL20482001 0.84 MC4R (0.50) OPRM1SIGMAR1CYP3A4HSD17B10MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
WO-2017016669-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-02-02 WO disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
EP-2575815-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF Albany Molecular Research, Inc. (US) 2013-04-10 EP disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 WO disclosed
EP-0459387-B1 Phencyclidine and phencyclidine metabolites assay, tracers, immunogens, antibodies and reagent kit ABBOTT LAB (US) 1995-09-20 EP disclosed
US-5407834-A Monoclonal antibody which binds phencyclidine and metabolites, raised against specified immunogen, lacking specifed cross reactivity ABBOTT LABORATORIES (US) 1995-04-18 US disclosed
US-5221629-A Fluorescence polarization assay ABBOTT LABORATORIES (US) 1993-06-22 US disclosed
US-5155212-A Substituted phencyclidine compound linked to polyamino acid ABBOTT LABORATORIES (US) 1992-10-13 US disclosed
US-5124457-A Fluorescein moiety tracer; fluorescence polarization assay ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0459387-A2 Phencyclidine and phencyclidine metabolites assay, tracers, immunogens, antibodies and reagent kit ABBOTT LABORATORIES (US) 1991-12-04 EP 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 (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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885CYP3A4 890/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885CYP3A4 890/4885
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF SLC6A5, SLC7A1, AGXT OPRM1 552/4885SIGMAR1 426/4885CYP3A4 2029/4885

“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.