SCHEMBL1286640

SCHEMBL1286640

FC1(c2ccccc2)CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
MAOA P21397 5/20 0.40
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 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
SCHEMBL19992871 0.83 MAOB (0.48) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL8468669 0.78 DPP4 (0.46) MAOBMAOA
SCHEMBL18231169 0.78 MAOB (0.44) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL4197025 0.78 CHRM2 (0.36) OPRM1OPRK1OPRL1MEN1CYP2C9
SCHEMBL239338 0.76 OPRM1 (0.54) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL415543 0.76 SLC6A4 (0.47) OPRM1
SCHEMBL42581 0.73 OPRL1 (0.52) OPRM1OPRK1OPRL1
SCHEMBL8330377 0.73 OPRM1 (0.37) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL242049 0.73 OPRM1 (0.61) MAOBMAOAOPRM1CYP2C9
SCHEMBL1366868 0.73 OPRL1 (0.41) MAOBMAOAOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
WO-2011137331-A3 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2012-04-05 WO disclosed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 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-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 MAOB 921/4885MAOA 889/4885OPRM1 3/4885

“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.