SCHEMBL5754493

SCHEMBL5754493

CN1CCC(c2ccsc2)(C(C)(C)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
OPRM1 P35372 4/20 0.33
OPRD1 P41143 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
DRD4 P21917 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL1152677 0.77 OPRM1 (0.49) CHRM1OPRM1OPRD1DRD2DRD4
SCHEMBL10640876 0.76 OPRM1 (0.49) OPRM1OPRD1
SCHEMBL10637592 0.74 OPRM1 (0.46) OPRM1DRD2
SCHEMBL10637222 0.74 OPRM1 (0.50) OPRM1DRD2
SCHEMBL14534173 0.72 OPRM1 (0.37) CHRM1OPRM1HRH4DRD2HTR6
SCHEMBL10641018 0.72 POLB (0.42) OPRM1DRD4CHRNA7
SCHEMBL5754499 0.72 KMT2A (0.43) CHRM1OPRM1OPRD1
SCHEMBL11068281 0.72 ALDH1A1 (0.43) OPRD1DRD2DRD4
SCHEMBL11074351 0.72 SLC6A4 (0.43) CHRM1OPRM1OPRD1
SCHEMBL11074405 0.72 OPRL1 (0.39) OPRM1OPRD1HRH4DRD2

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 15 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
US-20030162811-A1 Carbinols for the treatment of neuropathic dysfunction ENDO PHARMACEUTICALS INC. 2003-08-28 US claimed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO claimed
US-5086063-A Analgesics, antidepressants, anorexigenic agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-04 US claimed
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 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

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 CHRM1 567/4885OPRM1 11/4885OPRD1 7/4885
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 CHRM1 1464/4885OPRM1 227/4885OPRD1 47/4885

“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.