SCHEMBL5577382

SCHEMBL5577382

COc1cccc(C(=O)NCc2cccc(N3CCN(Cc4ccc(OC)c(OC)c4)CC3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
DRD4 P21917 5/20 0.56
TP53 P04637 2/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 1/20 0.56
GFER P55789 2/20 0.55
MMP13 P45452 1/20 0.54
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL5577449 0.92 CHRM3 (0.61) CHRM3SMN1; SMN2MAPTLMNATP53
SCHEMBL5577312 0.92 SMN1; SMN2 (0.63) SMN1; SMN2MAPTLMNATP53DRD2
SCHEMBL5577748 0.91 CHRM3 (0.57) CHRM3SMN1; SMN2MAPTLMNADRD4
SCHEMBL5577569 0.90 TSHR (0.60) CHRM3SMN1; SMN2MAPTLMNADRD4
SCHEMBL5577532 0.88 DRD2 (0.55) SMN1; SMN2MAPTLMNATP53DRD2
SCHEMBL5577822 0.88 DRD2 (0.55) CHRM3SMN1; SMN2MAPTLMNATP53
SCHEMBL5577882 0.88 SMN1; SMN2 (0.59) CHRM3SMN1; SMN2MAPTLMNATP53
SCHEMBL5577561 0.88 SMN1; SMN2 (0.58) CHRM3SMN1; SMN2MAPTLMNATP53
SCHEMBL5577816 0.88 ALDH1A1 (0.62) CHRM3SMN1; SMN2MAPTLMNATP53
SCHEMBL5577867 0.88 CHRM3 (0.59) CHRM3SMN1; SMN2MAPTLMNATP53

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 2099/4885SMN1; SMN2 2012/4885MAPT 449/4885

“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.