SCHEMBL6863055

SCHEMBL6863055

CC(C)(N)CC(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.52
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.44
ACP1 P24666 1/20 0.43
CXCR3 P49682 2/20 0.41
MAPT P10636 2/20 0.41
TACR1 P25103 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
NAMPT P43490 1/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TSHR P16473 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
SCHEMBL6863165 0.91 CXCR3 (0.47) CACNA1HALDH1A1LMNAACP1CXCR3
SCHEMBL6862660 0.89 CXCR3 (0.48) CACNA1HALDH1A1LMNAACP1CXCR3
SCHEMBL6864244 0.82 LMNA (0.45) ALDH1A1LMNAACP1CXCR3MAPT
SCHEMBL6862582 0.82 CXCR3 (0.47) CACNA1HALDH1A1LMNAACP1CXCR3
SCHEMBL1444731 0.80 LMNA (0.50) ALDH1A1LMNAACP1CXCR3MAPT
SCHEMBL6863428 0.80 TACR1 (0.48) ALDH1A1LMNAACP1CXCR3MAPT
SCHEMBL4277997 0.77 CXCR3 (0.55) ALDH1A1LMNAACP1CXCR3MAPT
SCHEMBL12005795 0.76 CXCR3 (0.50) ALDH1A1LMNAACP1CXCR3RHOC
SCHEMBL12014293 0.76 CXCR3 (0.46) CACNA1HCXCR3RHOCRHOAHDAC3
SCHEMBL12004810 0.75 CXCR3 (0.53) ALDH1A1LMNAACP1CXCR3MAPT

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 3 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
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 CACNA1H 3/4885ALDH1A1 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.