SCHEMBL5756148

SCHEMBL5756148

CCOC(=O)C1(c2cccc(Cl)c2)CCN(C)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.72
OPRD1 P41143 3/20 0.72
OPRK1 P41145 3/20 0.72
SLC22A1 O15245 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72

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
SCHEMBL5756250 0.93 OPRM1 (0.62) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydroxypethidine SCHEMBL25246 0.86 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydroxypethidine SCHEMBL29966554 0.86 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydroxypethidine SCHEMBL317328 0.85 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL25431 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6169700 0.84 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL704139 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL194412 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL41046 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL2860723 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 11 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 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

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 OPRM1 11/4885OPRD1 7/4885OPRK1 4/4885
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 OPRM1 227/4885OPRD1 47/4885OPRK1 179/4885

“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.