SCHEMBL3299252

SCHEMBL3299252

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.61
CACNA1G O43497 8/20 0.61
CACNA1H O95180 8/20 0.61
HTR6 P50406 6/20 0.56
ALOX5 P09917 3/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL3306793 0.92 KCNH2 (0.61) KCNH2CACNA1GCACNA1HHTR6ALOX5
SCHEMBL3306921 0.88 KCNH2 (0.61) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3304029 0.87 ALOX5 (0.55) KCNH2CACNA1GCACNA1HALOX5PTGS1
SCHEMBL3301665 0.86 KCNH2 (0.59) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL26131428 0.86 KCNH2 (0.62) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3300454 0.85 CACNA1G (0.60) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL3306574 0.84 CACNA1G (0.57) KCNH2CACNA1GCACNA1HALDH1A1LMNA
SCHEMBL3300579 0.83 KCNH2 (0.56) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3299904 0.82 ALOX5 (0.51) KCNH2CACNA1GCACNA1HALOX5PTGS1
SCHEMBL3304244 0.81 MEN1 (0.57) KCNH2CACNA1GCACNA1HHTR6ALDH1A1

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.