SCHEMBL3304244

SCHEMBL3304244

CC(C)Cc1cc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CACNA1G O43497 8/20 0.56
CACNA1H O95180 8/20 0.56
KCNH2 Q12809 8/20 0.56
LMNA P02545 2/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR6 P50406 3/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL3307008 0.90 MEN1 (0.58) MEN1KMT2ANPSR1CACNA1GCACNA1H
SCHEMBL3300454 0.89 CACNA1G (0.60) MEN1KMT2ACACNA1GCACNA1HKCNH2
SCHEMBL3295714 0.87 MEN1 (0.61) MEN1KMT2ANPSR1LMNACA1
SCHEMBL26131428 0.86 KCNH2 (0.62) CACNA1GCACNA1HKCNH2HTR6
SCHEMBL3301941 0.84 ALDH1A1 (0.58) CACNA1GCACNA1HKCNH2CA1CA2
SCHEMBL3298095 0.84 KCNH2 (0.55) MEN1KMT2ACACNA1GCACNA1HKCNH2
SCHEMBL20328485 0.83 KCNH2 (0.59) CACNA1GCACNA1HKCNH2LMNASMN1; SMN2
SCHEMBL3300579 0.83 KCNH2 (0.56) CACNA1GCACNA1HKCNH2HTR6
SCHEMBL3298256 0.83 ALDH1A1 (0.55) MEN1KMT2ANPSR1CACNA1GCACNA1H
SCHEMBL3302027 0.82 CACNA1H (0.51) NPSR1CACNA1GCACNA1HKCNH2LMNA

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 MEN1 1934/4885KMT2A 1636/4885NPSR1 1352/4885

“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.