SCHEMBL2594813

SCHEMBL2594813

COC(=O)C(Cc1ccccc1)(Cc1ccccc1)CN1CCC(F)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
OPRL1 P41146 2/20 0.48
CCR1 P32246 2/20 0.47
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CCR3 P51677 2/20 0.43
GRM5 P41594 1/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH2 P25021 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL12175551 0.88 CCR3 (0.50) OPRM1OPRL1TMEM97SIGMAR1CCR3
Hydrochloric Acid SCHEMBL2584795 0.87 CCR3 (0.49) OPRM1OPRL1TMEM97SIGMAR1CCR3
SCHEMBL16155981 0.82 ADAM17 (0.40) OPRM1OPRL1KCNH2
SCHEMBL2583630 0.81 ADAM17 (0.46) OPRM1OPRL1
Hydrochloric Acid SCHEMBL2579388 0.74 CYP3A4 (0.43) OPRM1OPRL1CCR1TMEM97SIGMAR1
SCHEMBL654214 0.74 CCR3 (0.68) OPRM1OPRL1SIGMAR1CCR3DRD4
SCHEMBL2583646 0.72 DRD2 (0.48) OPRM1OPRL1CCR1GRM5DRD4
SCHEMBL12175527 0.71 OPRM1 (0.42) OPRM1DRD3
SCHEMBL14713275 0.70 CCR3 (0.47) OPRM1OPRL1CCR3GRM5DRD4
Hydrochloric Acid SCHEMBL2587755 0.70 OPRM1 (0.41) OPRM1DRD3

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 OPRM1 3/4885OPRL1 4/4885CCR1 1236/4885

“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.