SCHEMBL3301932

SCHEMBL3301932

COc1ccc(-n2nc(CNC(=O)CN3CCN(c4ccccc4)CC3)cc2CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.55
KCNH2 Q12809 6/20 0.53
CACNA1G O43497 5/20 0.53
CACNA1H O95180 5/20 0.53
USP2 O75604 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
CNR2 P34972 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3300454 0.93 CACNA1G (0.60) GFERKCNH2CACNA1GCACNA1HMEN1
SCHEMBL3299418 0.87 GFER (0.59) GFERUSP2L3MBTL1MEN1KMT2A
SCHEMBL3298095 0.86 KCNH2 (0.55) GFERKCNH2CACNA1GCACNA1HUSP2
SCHEMBL3301941 0.85 ALDH1A1 (0.58) KCNH2CACNA1GCACNA1HCA1CA2
SCHEMBL3298256 0.83 ALDH1A1 (0.55) KCNH2CACNA1GCACNA1HMEN1KMT2A
SCHEMBL4245856 0.83 CACNA1G (0.48) KCNH2CACNA1GCACNA1HDRD4
SCHEMBL26131428 0.83 KCNH2 (0.62) GFERKCNH2CACNA1GCACNA1H
SCHEMBL3299917 0.83 CACNA1G (0.53) KCNH2CACNA1GCACNA1HMEN1KMT2A
SCHEMBL3304244 0.82 MEN1 (0.57) KCNH2CACNA1GCACNA1HMEN1KMT2A
SCHEMBL3298239 0.82 KCNH2 (0.53) GFERKCNH2CACNA1GCACNA1HMAPT

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 GFER 3476/4885KCNH2 69/4885CACNA1G 7/4885

“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.