SCHEMBL5754499

SCHEMBL5754499

CN1CCC(c2cccs2)(C(C)(C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.40
PRCP P42785 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 4/20 0.38
OPRL1 P41146 4/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A3 Q01959 1/20 0.36
CCR1 P32246 1/20 0.34
SLC6A2 P23975 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL11066529 0.75 CYP1A2 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL1152677 0.73 OPRM1 (0.49) KMT2ASIGMAR1OPRM1OPRD1OPRK1
SCHEMBL5754493 0.72 CHRM1 (0.37) OPRM1OPRD1CHRM1
SCHEMBL13229259 0.71 OPRM1 (0.51) KMT2AMEN1PRCPSIGMAR1OPRM1
SCHEMBL11072043 0.70 CYP1A2 (0.40) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL10637823 0.70 CYP3A4 (0.35) OPRM1OPRD1OPRK1ALDH1A1MAPT
SCHEMBL10640876 0.69 OPRM1 (0.49) KMT2AMEN1OPRM1OPRL1OPRD1
SCHEMBL10641018 0.69 POLB (0.42) OPRM1MAPTNPC1RAB9ATSHR
SCHEMBL10637222 0.68 OPRM1 (0.50) KMT2AMEN1OPRM1SLC6A3SLC6A2
SCHEMBL10637592 0.68 OPRM1 (0.46) KMT2ASIGMAR1OPRM1SLC6A3SLC6A2

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 12 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
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
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 KMT2A 3676/4885MEN1 4044/4885PRCP 2156/4885
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 KMT2A 844/4885MEN1 1395/4885PRCP 3121/4885

“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.