SCHEMBL10015002

SCHEMBL10015002

CCCC1CCC(O)(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.45
SLC6A4 P31645 8/20 0.45
OPRL1 P41146 6/20 0.44
OPRM1 P35372 5/20 0.44
OPRK1 P41145 2/20 0.44
CCR1 P32246 1/20 0.43
OPRD1 P41143 3/20 0.43
SLC6A2 P23975 2/20 0.42
TRPA1 O75762 1/20 0.38

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
SCHEMBL22122626 0.85 OPRM1 (0.45) SLC6A3OPRL1OPRM1OPRK1CCR1
SCHEMBL31279685 0.85 OPRM1 (0.45) SLC6A3OPRL1OPRM1OPRK1CCR1
SCHEMBL9827270 0.85 OPRM1 (0.47) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL8636073 0.81 SLC6A3 (0.38) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL8636069 0.81 SLC6A3 (0.38) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL10699371 0.80 OPRM1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL17186769 0.79 SLC6A3 (0.51) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL10798909 0.78 OPRM1 (0.39) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL2856214 0.78 OPRL1 (0.54) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL16038271 0.77 OPRM1 (0.43) SLC6A3OPRL1OPRM1OPRK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163200-B2 Cyclohexene compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-24 US disclosed
US-8163200-B2 Cyclohexene compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-24 US disclosed
EP-2052055-B1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2011-07-06 EP disclosed
US-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT (DE) 2010-09-23 US disclosed
US-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT (DE) 2010-09-23 US disclosed
WO-2008019743-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2008-02-21 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-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES C1S, CHRM1, C1R SLC6A3 2849/4885SLC6A4 3174/4885OPRL1 2065/4885

“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.