SCHEMBL6863597

SCHEMBL6863597

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.51
SIGMAR1 Q99720 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 4/20 0.47
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
DEGS1 O15121 1/20 0.43
KLK7 P49862 1/20 0.42
TPSAB1 Q15661 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12005815 1.00 NAMPT (0.51) NAMPTSIGMAR1RAB9ANPC1KMT2A
SCHEMBL12005814 1.00 NAMPT (0.51) NAMPTSIGMAR1RAB9ANPC1KMT2A
SCHEMBL6865017 0.89 EPHX2 (0.45) NAMPTSIGMAR1RAB9ANPC1KMT2A
SCHEMBL12005197 0.89 EPHX2 (0.45) NAMPTSIGMAR1RAB9ANPC1KMT2A
SCHEMBL12005199 0.89 EPHX2 (0.45) NAMPTSIGMAR1RAB9ANPC1KMT2A
SCHEMBL12005319 0.86 EPHX2 (0.49) NAMPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL12005322 0.86 EPHX2 (0.49) NAMPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL12006366 0.86 EPHX2 (0.61) KMT2AEPHX2KDM4EALDH1A1POLB
SCHEMBL6863169 0.86 EPHX2 (0.49) NAMPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL6863464 0.86 EPHX2 (0.61) KMT2AEPHX2KDM4EALDH1A1POLB

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 2 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
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 3305/4885SIGMAR1 1667/4885RAB9A 1052/4885

“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.