SCHEMBL2309749

SCHEMBL2309749

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
LMNA P02545 1/20 0.40
OPRD1 P41143 3/20 0.38
OPRK1 P41145 2/20 0.38
RIPK1 Q13546 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 2/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL2311734 1.00 OPRM1 (0.53) OPRM1LMNAOPRD1OPRK1RIPK1
SCHEMBL2315586 0.96 OPRM1 (0.45) OPRM1LMNARIPK1HSD11B1SMN1; SMN2
SCHEMBL2306085 0.94 OPRM1 (0.51) OPRM1LMNAOPRD1OPRK1NPSR1
SCHEMBL2307819 0.94 OPRM1 (0.51) OPRM1LMNAOPRD1OPRK1NPSR1
SCHEMBL2309697 0.93 OPRM1 (0.60) OPRM1LMNAOPRD1RIPK1OPRL1
SCHEMBL2311931 0.87 OPRM1 (0.42) OPRM1OPRD1OPRK1NPSR1OPRL1
SCHEMBL2312620 0.86 OPRM1 (0.51) OPRM1LMNAHSD11B1OPRL1
SCHEMBL2310329 0.86 OPRM1 (0.57) OPRM1LMNAOPRL1
SCHEMBL2310823 0.86 OPRM1 (0.49) OPRM1LMNAOPRD1OPRL1
SCHEMBL2309188 0.82 OPRM1 (0.51) OPRM1LMNAHSD11B1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D OPRM1 431/4885LMNA 577/4885OPRD1 309/4885

“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.