SCHEMBL1326522

SCHEMBL1326522

CN(C)C(c1ccc(F)cc1)C1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
CHRM1 P11229 4/20 0.38
SLC6A2 P23975 3/20 0.38
AOC3 Q16853 1/20 0.37
HSD11B1 P28845 1/20 0.36
SLC6A3 Q01959 3/20 0.33
OPRM1 P35372 1/20 0.33
KDR P35968 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1326713 0.83 BCL2A1 (0.46) SLC6A4SLC6A2AOC3HSD11B1SLC6A3
SCHEMBL493690 0.83 AOC3 (0.38) SLC6A4CHRM1SLC6A2AOC3SLC6A3
SCHEMBL3590453 0.83 SLC6A4 (0.40) SLC6A4CHRM1SLC6A2AOC3SLC6A3
SCHEMBL1327227 0.83 OPRM1 (0.41) SLC6A4SLC6A3OPRM1KDRHTR2A
SCHEMBL1326885 0.83 AOC3 (0.37) SLC6A4CHRM1SLC6A2AOC3SLC6A3
SCHEMBL1326919 0.81 SLC6A4 (0.45) SLC6A4SLC6A2AOC3SLC6A3OPRM1
SCHEMBL644291 0.80 LMNA (0.40) AOC3
SCHEMBL1327560 0.80 ESR2 (0.36) SLC6A4CHRM1SLC6A2AOC3SLC6A3
SCHEMBL493315 0.80 AOC3 (0.37) SLC6A4CHRM1SLC6A2AOC3SLC6A3
SCHEMBL493325 0.80 CHRM1 (0.35) SLC6A4CHRM1SLC6A2AOC3SLC6A3

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
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
JP-2009520720-A 2009-05-28 JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R SLC6A4 1517/4885CHRM1 8/4885SLC6A2 1980/4885

“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.