SCHEMBL3298264

SCHEMBL3298264

CCCc1cc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 4/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
SLC6A4 P31645 2/20 0.43
TP53 P04637 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
SCHEMBL3302882 0.90 KCNH2 (0.48) SMN1; SMN2LMNAKCNH2MAPTALDH1A1
SCHEMBL3301716 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKCNH2MAPTALDH1A1
SCHEMBL3297903 0.88 MAPT (0.47) SMN1; SMN2LMNAKCNH2MAPTALDH1A1
SCHEMBL3296821 0.88 HTT (0.47) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL3300670 0.84 KMT2A (0.52) LMNAMAPTALDH1A1KDM4EALOX15
SCHEMBL4248339 0.84 CACNA1G (0.57) ALDH1A1KMT2AMEN1HTR2AHTR2C
SCHEMBL4248972 0.82 CACNA1G (0.58) ALDH1A1KMT2AMEN1HTR2AHTR2C
SCHEMBL3305388 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKCNH2MAPTALDH1A1
SCHEMBL4249397 0.78 CACNA1G (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1HTR2A
SCHEMBL3302896 0.78 MAPT (0.54) SMN1; SMN2LMNAKCNH2MAPTALDH1A1

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 SMN1; SMN2 1264/4885LMNA 1651/4885KCNH2 69/4885

“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.