SCHEMBL4710045

SCHEMBL4710045

COc1ccc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.72
OPRL1 P41146 9/20 0.72
OPRK1 P41145 9/20 0.56
OPRD1 P41143 7/20 0.56
HTR1A P08908 8/20 0.56
DRD2 P14416 8/20 0.56
DRD4 P21917 8/20 0.56
HTR2A P28223 8/20 0.56
HTR2C P28335 8/20 0.56
HTR7 P34969 8/20 0.56
HTR1D P28221 7/20 0.56
HRH2 P25021 6/20 0.56
HRH1 P35367 5/20 0.56
DRD3 P35462 7/20 0.55
HTR2B P41595 7/20 0.55
DRD1 P21728 6/20 0.55
DRD5 P21918 6/20 0.55
SLC6A2 P23975 6/20 0.55
SLC6A4 P31645 6/20 0.55
HTR6 P50406 6/20 0.55

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
SCHEMBL2921064 0.82 OPRM1 (0.80) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL4711818 0.79 DRD2 (0.58) DRD2DRD4HTR7DRD3
SCHEMBL3859039 0.79 OPRM1 (0.70) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL5904975 0.79 OPRM1 (0.52) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL3858986 0.78 OPRM1 (0.65) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL2468020 0.78 OPRL1 (0.63) OPRL1SIGMAR1
SCHEMBL3850816 0.77 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL14282239 0.77 OPRM1 (0.76) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL5242202 0.76 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1HTR1A
SCHEMBL5905514 0.75 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1HTR1A

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-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN 2006-10-12 US claimed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP claimed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 WO claimed
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 EP disclosed
US-20080044353-A1 Combination Therapy for Weight Management NEUROGEN CORPORATION 2008-02-21 US disclosed
EP-1729762-A4 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORP (US) 2007-12-19 EP disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
EP-1729762-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2006-12-13 EP disclosed
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN 2006-10-12 US disclosed
US-7081458-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORP. (US) 2006-07-25 US disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 US disclosed
WO-2005094305-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2005-10-13 WO disclosed
US-6953801-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2005-10-11 US disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 US disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 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 (5 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-20080044353-A1 Combination Therapy for Weight Management CNR1, CNR2, MCHR1 OPRM1 37/4885OPRL1 38/4885OPRK1 120/4885
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R OPRM1 99/4885OPRL1 67/4885OPRK1 211/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR OPRM1 76/4885OPRL1 46/4885OPRK1 154/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R OPRM1 99/4885OPRL1 67/4885OPRK1 211/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R OPRM1 99/4885OPRL1 67/4885OPRK1 211/4885

“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.