SCHEMBL4415936

SCHEMBL4415936

COc1ccc(N2CCN(C(=O)CCn3ccnc3-c3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GFER P55789 2/20 0.56
ESR1 P03372 1/20 0.53
MAPT P10636 7/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.51
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL4430531 0.90 ESR1 (0.62) MAPK1MEN1KMT2ALMNAGAA
SCHEMBL4422252 0.86 MAPT (0.57) MAPK1MEN1KMT2ALMNAGAA
SCHEMBL4422261 0.85 KMT2A (0.52) MEN1KMT2ALMNAGFERMAPT
SCHEMBL4413975 0.83 ESR1 (0.65) MAPK1MEN1KMT2ALMNATDP1
SCHEMBL4423543 0.81 HTR1A (0.63) MAPK1MEN1KMT2ALMNAGAA
SCHEMBL4425280 0.80 ESR1 (0.61) MEN1KMT2ALMNAESR1ALDH1A1
SCHEMBL4422476 0.80 HTR7 (0.60) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4419296 0.79 MAPT (0.59) MAPK1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4428470 0.78 MAPT (0.58) MEN1KMT2ALMNAGAAESR1
SCHEMBL4419470 0.78 ESR1 (0.53) MEN1KMT2ALMNAESR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 MAPK1 3177/4885MEN1 2657/4885KMT2A 4575/4885

“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.