SCHEMBL3218244

SCHEMBL3218244

C=CCCNC1(Cc2ccccc2)CCC(O)(CCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.44
OPRL1 P41146 6/20 0.44
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DPP4 P27487 1/20 0.32
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
KDM1A O60341 2/20 0.31
CASP1 P29466 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ADRB2 P07550 1/20 0.30
HTT P42858 1/20 0.30
HSD17B3 P37058 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
Hydrochloric Acid SCHEMBL3216981 0.99 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1HDAC3
SCHEMBL3218332 0.76 HTT (0.36) HDAC3HDAC1HDAC2HDAC6DPP4
SCHEMBL28914563 0.74 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1MAOA
SCHEMBL3218235 0.70 OPRM1 (0.53) OPRM1OPRL1OPRD1OPRK1TAAR1
Hydrochloric Acid SCHEMBL3216972 0.69 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1TAAR1
SCHEMBL4204848 0.68 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1MAOA
SCHEMBL3207955 0.67 OPRM1 (0.64) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL4989701 0.66 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1MAOA
SCHEMBL17493640 0.66 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1MAOA
Hydrochloric Acid SCHEMBL3207516 0.66 OPRM1 (0.65) OPRM1OPRL1OPRD1OPRK1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US claimed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP claimed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US claimed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO claimed
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 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 (1 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 OPRM1 6/4885OPRL1 4/4885OPRD1 2/4885

“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.