SCHEMBL6863505

SCHEMBL6863505

O=C(CC1CCN(Cl)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ACP1 P24666 1/20 0.49
RHOC P08134 2/20 0.47
RHOA P61586 2/20 0.47
CXCR3 P49682 3/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TACR1 P25103 1/20 0.45
USP30 Q70CQ3 3/20 0.44
THRB P10828 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 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
SCHEMBL19112788 0.85 LMNA (0.49) LMNAACP1RHOCRHOACXCR3
SCHEMBL1445327 0.85 LMNA (0.52) LMNAACP1RHOCRHOACXCR3
SCHEMBL13568424 0.83 EPHX2 (0.59) LMNAACP1NAMPTALDH1A1TACR1
SCHEMBL4278127 0.81 CXCR3 (0.56) LMNAACP1RHOCRHOACXCR3
SCHEMBL3889819 0.81 LMNA (0.52) LMNAACP1RHOCRHOANAMPT
SCHEMBL3889815 0.81 LMNA (0.52) LMNAACP1RHOCRHOANAMPT
SCHEMBL1444131 0.81 LMNA (0.52) LMNAACP1NAMPTALDH1A1TACR1
SCHEMBL3895469 0.81 LMNA (0.52) LMNAACP1RHOCRHOANAMPT
SCHEMBL19113042 0.80 EPHX2 (0.54) LMNAACP1RHOCRHOACXCR3
SCHEMBL4277997 0.80 CXCR3 (0.55) LMNAACP1RHOCRHOACXCR3

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 LMNA 847/4885ACP1 2139/4885RHOC 1928/4885

“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.