SCHEMBL5753450

SCHEMBL5753450

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRD1 P41143 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.42
TACR1 P25103 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL20329719 0.88 CCR2 (0.48) MEN1KMT2ASLC6A4CCR2
SCHEMBL7369115 0.84 CCR2 (0.49) MEN1KMT2ASLC6A4KCNH2CCR2
SCHEMBL15733769 0.84 OPRD1 (0.63) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL12104025 0.81 OPRM1 (0.63) OPRM1KMT2A
SCHEMBL5756148 0.81 OPRM1 (0.72) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL8324812 0.81 OPRM1 (0.63) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL5759031 0.81 CCR2 (0.46) OPRM1MEN1KMT2ASLC6A4CCR2
SCHEMBL5761230 0.80 APP (0.52) OPRM1MEN1KMT2AOPRD1SLC22A1
SCHEMBL18390231 0.80 HSD11B1 (0.51) MEN1KMT2A
SCHEMBL11560742 0.78 OPRD1 (0.52) OPRM1KMT2AOPRD1SLC6A4OPRK1

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 8 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
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
US-20030162811-A1 Carbinols for the treatment of neuropathic dysfunction ENDO PHARMACEUTICALS INC. 2003-08-28 US 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 11/4885MEN1 4044/4885KMT2A 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 OPRM1 227/4885MEN1 1395/4885KMT2A 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.