SCHEMBL6863900

SCHEMBL6863900

O=C(CC1CN(C(=O)C2CCCCN2)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
ACP1 P24666 1/20 0.40
P2RX7 Q99572 1/20 0.39
CXCR3 P49682 2/20 0.38
SCN9A Q15858 1/20 0.38
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6863832 0.93 CXCR3 (0.42) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL4279470 0.91 EPHX2 (0.45) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL4279471 0.91 EPHX2 (0.45) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL12015290 0.91 EPHX2 (0.45) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL4274641 0.87 EPHX2 (0.46) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL4274644 0.87 EPHX2 (0.46) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL4282594 0.87 EPHX2 (0.46) NAMPTALDH1A1LMNARHOCRHOA
SCHEMBL8374023 0.83 EPHX2 (0.41) NAMPTALDH1A1RHOCRHOAP2RX7
SCHEMBL6863109 0.82 S1PR2 (0.41) ALDH1A1LMNARHOCRHOAACP1
SCHEMBL6863044 0.82 S1PR2 (0.41) ALDH1A1LMNARHOCRHOAACP1

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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H NAMPT 3305/4885ALDH1A1 2690/4885LMNA 847/4885

“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.