SCHEMBL2583646

SCHEMBL2583646

COC(=O)CCN1CCC(F)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
KDM1A O60341 1/20 0.47
CACNA1C Q13936 1/20 0.47
TP53 P04637 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
ADRA1A P35348 1/20 0.45
GRM5 P41594 1/20 0.45
CCR1 P32246 1/20 0.44

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
SCHEMBL6776140 0.74 CHKA (0.55) DRD2DRD4TP53
SCHEMBL7510130 0.73 DRD2 (0.59) DRD2DRD4DRD3CACNA1COPRM1
SCHEMBL2590397 0.72 ADAM17 (0.49) KDM1ACACNA1C
SCHEMBL18711305 0.72 GRM5 (0.52) GRM5
SCHEMBL2594813 0.72 OPRM1 (0.48) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL27877873 0.71 DRD2 (0.52) DRD2DRD4DRD3CCR1
Hydrochloric Acid SCHEMBL2579388 0.71 CYP3A4 (0.43) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL20656904 0.71 SMN1; SMN2 (0.48) KDM1ACACNA1CTP53
SCHEMBL27962168 0.70 MAPT (0.39) TP53
SCHEMBL4489670 0.70 SMN1; SMN2 (0.65) CACNA1CTP53

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 3 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-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 DRD2 82/4885DRD4 119/4885DRD3 185/4885

“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.