SCHEMBL3302882

SCHEMBL3302882

Cc1cccc(N2CCN(C(=O)CNCc3cc(CC(C)C)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.48
CACNA1G O43497 7/20 0.48
CACNA1H O95180 7/20 0.48
HTR6 P50406 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3298264 0.90 SMN1; SMN2 (0.48) KCNH2SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3298227 0.88 KCNH2 (0.54) KCNH2CACNA1GCACNA1HHTR6LMNA
SCHEMBL3298272 0.88 CACNA1G (0.48) KCNH2CACNA1GCACNA1HHTR6MAPT
SCHEMBL3301716 0.87 SMN1; SMN2 (0.51) KCNH2SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3299917 0.84 CACNA1G (0.53) KCNH2CACNA1GCACNA1HHTR6LMNA
SCHEMBL4245570 0.84 CACNA1G (0.47) KCNH2CACNA1GCACNA1HHTR6KMT2A
SCHEMBL3302027 0.81 CACNA1H (0.51) KCNH2CACNA1GCACNA1HHTR6LMNA
SCHEMBL3305388 0.81 SMN1; SMN2 (0.45) KCNH2SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3303504 0.78 KMT2A (0.48) KCNH2CACNA1GCACNA1HHTR6LMNA
SCHEMBL3296821 0.77 HTT (0.47) CACNA1GSMN1; SMN2LMNAKMT2AMEN1

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.