SCHEMBL6863401

SCHEMBL6863401

N[C@@H]1CCCC[C@H]1C(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
LMNA P02545 2/20 0.41
ACP1 P24666 2/20 0.41
CACNA1G O43497 4/20 0.39
CACNA1H O95180 4/20 0.39
CACNA1B Q00975 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CXCR3 P49682 2/20 0.38
TACR1 P25103 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL12004818 1.00 NAMPT (0.44) NAMPTRHOCRHOALMNAACP1
SCHEMBL12004817 1.00 NAMPT (0.44) NAMPTRHOCRHOALMNAACP1
SCHEMBL6863467 0.93 RHOC (0.43) NAMPTRHOCRHOALMNAACP1
SCHEMBL6864138 0.93 RHOC (0.43) NAMPTRHOCRHOALMNAACP1
SCHEMBL6863915 0.93 RHOC (0.43) NAMPTRHOCRHOALMNAACP1
SCHEMBL12005749 0.93 RHOC (0.43) NAMPTRHOCRHOALMNAACP1
SCHEMBL6864170 0.91 NAMPT (0.39) NAMPTRHOCRHOALMNAACP1
SCHEMBL12004714 0.90 EPHX2 (0.46) NAMPTRHOCRHOALMNAACP1
SCHEMBL6863390 0.90 EPHX2 (0.46) NAMPTRHOCRHOALMNAACP1
SCHEMBL6863159 0.90 EPHX2 (0.46) NAMPTRHOCRHOALMNAACP1

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 3305/4885RHOC 1928/4885RHOA 1738/4885

“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.