SCHEMBL2921064

SCHEMBL2921064

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.80
OPRL1 P41146 11/20 0.80
OPRD1 P41143 6/20 0.68
OPRK1 P41145 6/20 0.68
HTR1A P08908 5/20 0.68
DRD2 P14416 5/20 0.68
DRD4 P21917 5/20 0.68
HRH2 P25021 5/20 0.68
HTR1D P28221 5/20 0.68
HTR2A P28223 5/20 0.68
HTR2C P28335 5/20 0.68
HTR7 P34969 5/20 0.68
DRD1 P21728 4/20 0.68
DRD5 P21918 4/20 0.68
SLC6A2 P23975 4/20 0.68
SLC6A4 P31645 4/20 0.68
DRD3 P35462 4/20 0.68
HTR2B P41595 4/20 0.68
HTR6 P50406 4/20 0.68
SLC6A3 Q01959 4/20 0.68

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
SCHEMBL11450342 0.86 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1HTR1A
Hydrochloric Acid SCHEMBL11437813 0.85 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL13543993 0.84 CCR3 (0.72) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL3859039 0.84 OPRM1 (0.70) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282239 0.84 OPRM1 (0.76) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL4710045 0.82 OPRM1 (0.72) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL3850816 0.81 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282238 0.81 OPRM1 (0.67) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL905028 0.81 OPRM1 (1.00) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL4778246 0.81 OPRL1 (0.78) OPRM1OPRL1OPRD1OPRK1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 OPRM1 104/4885OPRL1 29/4885OPRD1 71/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885OPRD1 47/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRL1 4/4885OPRD1 1/4885

“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.