SCHEMBL5755002

SCHEMBL5755002

CN1CCC(c2cccc(Cl)c2)(C(C)(C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 2/20 0.39
CACNA1I Q9P0X4 1/20 0.39
SLC6A3 Q01959 11/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 8/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
TACR1 P25103 1/20 0.38
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
SCHEMBL5754214 0.92 DRD4 (0.40) OPRD1LMNAKMT2AKCNH2CACNA1I
SCHEMBL11072054 0.85 OPRD1 (0.40) OPRD1LMNAKMT2AKCNH2SLC6A3
SCHEMBL11075430 0.84 OPRD1 (0.44) OPRD1KMT2AKCNH2SLC6A4
SCHEMBL5759915 0.82 OPRD1 (0.43) OPRD1KMT2AKCNH2SLC6A3SLC6A2
SCHEMBL11070339 0.82 MAPK1 (0.46) OPRD1KMT2AKCNH2SLC6A3SLC6A2
SCHEMBL10637222 0.81 OPRM1 (0.50) LMNAKMT2AKCNH2SLC6A3SLC6A2
SCHEMBL10634773 0.81 SLC6A4 (0.44) OPRD1KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL1152677 0.81 OPRM1 (0.49) OPRD1KMT2AKCNH2SLC6A4
SCHEMBL5755480 0.80 KCNH2 (0.39) OPRD1LMNAKMT2AKCNH2CACNA1I
SCHEMBL9380493 0.80 OPRD1 (0.40) OPRD1KCNH2CACNA1ISLC6A3SLC6A2

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
EP-1441718-B1 USE OF CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2006-07-12 EP claimed
EP-1441718-A4 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2005-08-17 EP claimed
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 claimed
EP-1441718-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION Endo Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO claimed
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 claimed
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
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
EP-0094018-B1 4-ARYL-4-PIPERIDINECARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-03-09 EP disclosed
US-4485109-A 4-Aryl-4-piperidinecarbinols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-11-27 US 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 7/4885LMNA 3251/4885KMT2A 3676/4885
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 47/4885LMNA 4296/4885KMT2A 844/4885

“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.