SCHEMBL5577708

SCHEMBL5577708

CN(C)c1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.54
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
WDR5 P61964 1/20 0.45
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL5577772 0.94 KDM4E (0.54) CHRM3MAPK1KDM4EMEN1LMNA
SCHEMBL5577813 0.93 CHRM3 (0.58) CHRM3MAPK1TP53WDR5
SCHEMBL5577409 0.92 MAPK1 (0.63) CHRM3MAPK1KDM4EMEN1LMNA
SCHEMBL5577404 0.92 CHRM3 (0.50) CHRM3MAPK1KDM4ELMNATNF
SCHEMBL5577268 0.91 CHRM3 (0.49) CHRM3MAPK1KDM4EMEN1KMT2A
SCHEMBL5577472 0.91 CHRM3 (0.58) CHRM3MAPK1KDM4EMEN1LMNA
SCHEMBL5577436 0.89 MAPK1 (0.50) CHRM3MAPK1KDM4EMEN1LMNA
SCHEMBL5577729 0.87 CHRM3 (0.60) CHRM3KDM4EMEN1LMNAMAPT
SCHEMBL5577393 0.86 CHRM3 (0.55) CHRM3KDM4EMEN1LMNAMAPT
SCHEMBL5577493 0.84 SMN1; SMN2 (0.58) CHRM3LMNAALDH1A1TP53WDR5

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CHRM3 2099/4885MAPK1 592/4885KDM4E 4213/4885

“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.