SCHEMBL3306793

SCHEMBL3306793

CC(C)Cc1cc(CNC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.61
CACNA1G O43497 8/20 0.61
CACNA1H O95180 8/20 0.61
ALOX5 P09917 1/20 0.48
POLB P06746 1/20 0.48
HTR6 P50406 3/20 0.47
ACHE P22303 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43

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
SCHEMBL3299252 0.92 KCNH2 (0.61) KCNH2CACNA1GCACNA1HALOX5HTR6
SCHEMBL3301665 0.92 KCNH2 (0.59) KCNH2CACNA1GCACNA1HPOLBHTR6
SCHEMBL3299904 0.90 ALOX5 (0.51) KCNH2CACNA1GCACNA1HALOX5POLB
SCHEMBL3306921 0.87 KCNH2 (0.61) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3298599 0.87 POLB (0.52) ALOX5POLBACHEL3MBTL1HIF1A
SCHEMBL16783997 0.84 CYP2D6 (0.49) KCNH2CACNA1GCACNA1H
SCHEMBL16783999 0.84 CYP2D6 (0.49) KCNH2CACNA1GCACNA1H
SCHEMBL16783995 0.84 CYP2D6 (0.49) KCNH2CACNA1GCACNA1H
SCHEMBL3300454 0.84 CACNA1G (0.60) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3306574 0.84 CACNA1G (0.57) KCNH2CACNA1GCACNA1HPOLBL3MBTL1

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-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US claimed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US claimed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US 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-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 KCNH2 69/4885CACNA1G 7/4885CACNA1H 11/4885

“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.