SCHEMBL5755205

SCHEMBL5755205

CC(O)C1(c2cccc(Cl)c2)CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
SLC6A3 Q01959 12/20 0.41
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 7/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CCR2 P41597 1/20 0.39
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRND Q07001 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5790394 0.95 SLC6A3 (0.40) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL31332725 0.88 CCR2 (0.44) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL5756820 0.85 SLC6A4 (0.39) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL16565843 0.81 OPRM1 (0.50) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL9378568 0.81 OPRM1 (0.49) OPRD1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL5755032 0.80 CCR2 (0.39) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL11560742 0.78 OPRD1 (0.52) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL4551272 0.75 MCHR1 (0.41) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL20684979 0.74 SLC6A3 (0.45) OPRD1SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL5755002 0.73 OPRD1 (0.43) OPRD1SLC6A3SLC6A2SLC6A4CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2049766-A None JP disclosed
EP-1441718-B1 USE OF CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2006-07-12 EP disclosed
EP-1441718-A4 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2005-08-17 EP disclosed
US-20050026956-A1 3-Aryl-3-pyrrolidinemethanol, 4-aryl-4-piperidinemethanol, or 4-aryl-4-azepinemethanol derivatives; 4-(3-thienyl)- alpha , alpha ,1,1-trimethyl-4-piperidinemethanol; tumors, diabetes, arthritis; autoimmune, genetic, demyelination, and rheumatic disorders; antiinflammatory agents ENDO PHARMACEUTICALS, INC., A DELAWARE CORPORATION (US) 2005-02-03 US disclosed
US-6825217-B2 HETEROCYCLIC AMINES SUCH AS 4-(3'-THIENYL)-ALPHA, ALPHA, 1-TRIMETHYL-4-PIPERIDINEMETHANOL AND/OR PRODRUGS, USED AS ANALGESICS FOR PROPHYLAXIS OF NEUROPATHIC PAIN ENDO PHARMACEUTICALS, INC. 2004-11-30 US disclosed
EP-1441718-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION Endo Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20030162811-A1 Carbinols for the treatment of neuropathic dysfunction ENDO PHARMACEUTICALS INC. 2003-08-28 US disclosed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO disclosed
EP-0337167-B1 4-Aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof DU PONT MERCK PHARMA (US) 1994-08-03 EP disclosed
US-5086063-A Analgesics, antidepressants, anorexigenic agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-04 US disclosed
US-5019650-A 4-aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-28 US disclosed
JP-H0249766-A 4-ARYL-4-PIPERIDINECARBINOLS AND HETEROCYCLIC ANALOG THEREOF E I DU PONT DE NEMOURS & CO 1990-02-20 JP disclosed
EP-0337167-A1 4-Aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-10-18 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 (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-20030162811-A1 Carbinols for the treatment of neuropathic dysfunction CNR2, CNR1, OPRL1 OPRD1 7/4885SLC6A3 311/4885SLC6A2 110/4885
US-20050026956-A1 3-Aryl-3-pyrrolidinemethanol, 4-aryl-4-piperidinemethanol, or 4-aryl-4-azepinemethanol derivatives; 4-(3-thienyl)- alpha , alpha ,1,1-trimethyl-4-piperidinemethanol; tumors, diabetes, arthritis; autoimmune, genetic, demyelination, and rheumatic disorders; antiinflammatory agents PMP22, NAT1, MAG OPRD1 47/4885SLC6A3 2012/4885SLC6A2 4139/4885

“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.