SCHEMBL2540217

SCHEMBL2540217

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 3/20 0.45
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TRPV1 Q8NER1 7/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FPR2 P25090 2/20 0.40
EPHX2 P34913 1/20 0.39
FGFR4 P22455 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2309083 0.91 RAB9A (0.49) DEGS1HIF1AEPAS1TRPV1PTGS1
SCHEMBL2543834 0.86 ALDH1A1 (0.46) FPR2MAPT
SCHEMBL2541250 0.85 POLB (0.54) DEGS1NPC1RAB9A
SCHEMBL2544785 0.83 USP30 (0.46) DEGS1FGFR4
SCHEMBL2539546 0.83 USP30 (0.44) TRPV1FPR2
SCHEMBL2538123 0.82 DDR1 (0.45)
SCHEMBL15845345 0.78 DEGS1 (0.47) DEGS1HIF1AEPAS1TRPV1PTGS1
SCHEMBL2315838 0.77 DEGS1 (0.44) DEGS1HIF1AEPAS1TRPV1PTGS1
SCHEMBL2313787 0.76 ALDH1A1 (0.50) MAPT
SCHEMBL2311726 0.75 USP30 (0.44) TRPV1FPR2EPHX2

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-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US 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 DEGS1 1468/4885HIF1A 1481/4885EPAS1 1737/4885

“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.