SCHEMBL3306904

SCHEMBL3306904

Cc1cccc(N2CCN(CC(=O)NCc3cc(C)n(-c4ccc(C(=O)O)cc4)n3)CC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
REV1 Q9UBZ9 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR7 P34969 2/20 0.44
HPGD P15428 1/20 0.43
SLC6A4 P31645 2/20 0.43
ABCB1 P08183 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43

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
SCHEMBL3300566 0.93 KMT2A (0.56) KMT2AMEN1LMNATSHRNPC1
SCHEMBL3303504 0.88 KMT2A (0.48) KMT2AMEN1LMNATSHRNPC1
SCHEMBL3300670 0.82 KMT2A (0.52) KMT2AMEN1LMNATSHRNPC1
SCHEMBL3298108 0.82 MEN1 (0.54) KMT2AMEN1TSHRREV1GFER
SCHEMBL3304005 0.81 HTR7 (0.51) KMT2AMEN1LMNAMAPTGFER
SCHEMBL3299917 0.81 CACNA1G (0.53) KMT2AMEN1LMNATSHRNPC1
SCHEMBL3296701 0.80 DRD4 (0.54) LMNAMAPTGAAGFERALDH1A1
SCHEMBL3301751 0.79 KMT2A (0.47) KMT2AMEN1LMNATSHRNPC1
SCHEMBL3301395 0.79 GFER (0.53) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL3300644 0.78 MEN1 (0.64) KMT2AMEN1GFERALDH1A1SLC6A4

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 2 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 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 KMT2A 1636/4885MEN1 1934/4885LMNA 1651/4885

“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.