SCHEMBL5577822

SCHEMBL5577822

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(C)c(C)c4)c3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.53
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 1/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.49
CHRM3 P20309 2/20 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
SCHEMBL5577532 0.95 DRD2 (0.55) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577454 0.93 SMN1; SMN2 (0.55) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577465 0.92 SMN1; SMN2 (0.54) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577882 0.91 SMN1; SMN2 (0.59) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577748 0.90 CHRM3 (0.57) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577449 0.89 CHRM3 (0.61) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577561 0.89 SMN1; SMN2 (0.58) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577312 0.89 SMN1; SMN2 (0.63) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577661 0.88 ALDH1A1 (0.59) DRD2DRD3SMN1; SMN2ALDH1A1LMNA
SCHEMBL5577382 0.88 CHRM3 (0.61) DRD2DRD3SMN1; SMN2ALDH1A1LMNA

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 DRD2 4468/4885DRD3 4080/4885SMN1; SMN2 2012/4885

“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.