SCHEMBL4416936

SCHEMBL4416936

Cc1cccc(N2CCN(CCNC(=O)CCn3ccnc3-c3ccccc3)CC2)c1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 1/20 0.56
PLA2G1B P04054 1/20 0.56
NPY1R P25929 1/20 0.56
HTT P42858 1/20 0.56
NPY2R P49146 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
OPRM1 P35372 1/20 0.54
HTR2A P28223 9/20 0.51
HTR2C P28335 9/20 0.51
SLC6A4 P31645 9/20 0.51
TP53 P04637 2/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL4416029 0.87 POLB (0.54) MAPTKMT2AMEN1GAALMNA
SCHEMBL4420507 0.86 HTR7 (0.51) MAPTKMT2AMEN1GAAHTT
SCHEMBL4422983 0.86 ESR1 (0.55) KMT2AMEN1GAAHTR2AHTR7
SCHEMBL4419296 0.85 MAPT (0.59) MAPTKMT2AMEN1LMNAHTT
SCHEMBL4419294 0.82 MAPT (0.57) MAPTKMT2AMEN1GAALMNA
SCHEMBL4423130 0.82 ACHE (0.57) KMT2ALMNAHTTHTR7
SCHEMBL4415467 0.81 HTR1A (0.51) KMT2AMEN1GAALMNAHTR2A
SCHEMBL4422261 0.81 KMT2A (0.52) MAPTKMT2AMEN1LMNAHTR2A
SCHEMBL4416213 0.80 ALDH1A1 (0.49) KMT2AMEN1LMNAHTTHTR7
SCHEMBL4419759 0.78 ACHE (0.50) LMNAHTTHTR7

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-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
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 MAPT 2493/4885KMT2A 4575/4885MEN1 2657/4885

“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.