SCHEMBL3302896

SCHEMBL3302896

Cc1cc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 7/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.51
KCNH2 Q12809 1/20 0.51
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ADAMTS5 Q9UNA0 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
SCHEMBL3301716 0.81 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3302894 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3298264 0.78 SMN1; SMN2 (0.48) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3302882 0.77 KCNH2 (0.48) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3305388 0.75 SMN1; SMN2 (0.45) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL22053945 0.74 MAPT (0.72) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3301622 0.72 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL9051544 0.72 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8706041 0.72 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL9987606 0.70 MAPT (0.67) MAPTALDH1A1KDM4EALOX15HSD17B10

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 MAPT 1118/4885ALDH1A1 4048/4885KDM4E 1040/4885

“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.