SCHEMBL2309316

SCHEMBL2309316

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.49
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
OPRM1 P35372 10/20 0.38
OPRL1 P41146 10/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
GRM5 P41594 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
SCHEMBL2538123 0.92 DDR1 (0.45) DDR1CNR1CNR2IRAK4GRM5
SCHEMBL2309083 0.82 RAB9A (0.49)
SCHEMBL2311726 0.81 USP30 (0.44) CNR2OPRM1OPRL1
SCHEMBL2542785 0.77 ALDH1A1 (0.57)
SCHEMBL2538007 0.76 NAMPT (0.45) CNR2OPRM1OPRL1
SCHEMBL2543122 0.74 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL2313787 0.74 ALDH1A1 (0.50)
SCHEMBL2313161 0.74 HDAC6 (0.47)
SCHEMBL2540217 0.73 DEGS1 (0.45)
SCHEMBL2309381 0.73 POLB (0.54)

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 DDR1 1350/4885CNR1 94/4885CNR2 143/4885

“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.