SCHEMBL3300670

SCHEMBL3300670

CCCc1cc(CNC(=O)CN2CCN(c3cccc(C)c3C)CC2)nn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HTR2C P28335 9/20 0.49
HTR2A P28223 8/20 0.49
SLC6A4 P31645 6/20 0.49
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR7 P34969 4/20 0.47
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
REV1 Q9UBZ9 1/20 0.46
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3299917 0.90 CACNA1G (0.53) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL3300566 0.89 KMT2A (0.56) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL3306587 0.89 GFER (0.51) KMT2AMEN1TSHRREV1MAPT
SCHEMBL3295771 0.89 HTR7 (0.48) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL3300192 0.87 DRD4 (0.49) HTR2ALMNADRD2MAPTGFER
SCHEMBL3298264 0.84 SMN1; SMN2 (0.48) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL4248339 0.84 CACNA1G (0.57) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL3303504 0.83 KMT2A (0.48) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL4248972 0.82 CACNA1G (0.58) KMT2AMEN1HTR2CHTR2ASLC6A4
SCHEMBL3306904 0.82 KMT2A (0.52) KMT2AMEN1HTR2CHTR2ASLC6A4

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 KMT2A 1636/4885MEN1 1934/4885HTR2C 436/4885

“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.