SCHEMBL3300566

SCHEMBL3300566

Cc1cccc(N2CCN(CC(=O)NCc3cc(C)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 4/20 0.53
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTR7 P34969 4/20 0.50
REV1 Q9UBZ9 1/20 0.49
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HTR1A P08908 3/20 0.49
DRD2 P14416 3/20 0.49
MAPT P10636 2/20 0.48
GFER P55789 1/20 0.48
SLC6A4 P31645 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 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
SCHEMBL3306904 0.93 KMT2A (0.52) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3300670 0.89 KMT2A (0.52) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3298108 0.89 MEN1 (0.54) KMT2AMEN1TSHRREV1GFER
SCHEMBL3304005 0.88 HTR7 (0.51) KMT2AMEN1LMNAHTR7MAPT
SCHEMBL3299917 0.87 CACNA1G (0.53) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3296701 0.87 DRD4 (0.54) LMNAHTR2ADRD2MAPTGFER
SCHEMBL3301751 0.86 KMT2A (0.47) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3301395 0.85 GFER (0.53) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL3300644 0.84 MEN1 (0.64) KMT2AMEN1HTR2AHTR2CGFER
SCHEMBL3302066 0.84 ALDH1A1 (0.63) KMT2AMEN1TSHRMAPK1DRD2

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 6 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-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 US disclosed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
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 (3 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-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B KMT2A 4104/4885MEN1 1334/4885LMNA 526/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I KMT2A 1538/4885MEN1 1786/4885LMNA 1252/4885
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.