SCHEMBL5577833

SCHEMBL5577833

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccnc5ccccc45)c3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAP Q12884 4/20 0.56
ABCB1 P08183 5/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CHRM3 P20309 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL5577771 0.86 DRD2 (0.53) DRD2DRD3ALDH1A1LMNASMN1; SMN2
SCHEMBL5577506 0.85 CHRM3 (0.54) ABCB1DRD2DRD3ALDH1A1LMNA
SCHEMBL5577716 0.84 LMNA (0.56) DRD2DRD3ALDH1A1LMNAUSP2
SCHEMBL5577664 0.84 KMT2A (0.54) ABCB1DRD2DRD3ALDH1A1LMNA
SCHEMBL5577312 0.83 SMN1; SMN2 (0.63) DRD2DRD3ALDH1A1LMNAUSP2
SCHEMBL5577928 0.83 SMN1; SMN2 (0.55) CYP3A4CYP2C9DRD2DRD3ALDH1A1
SCHEMBL5577439 0.82 ALDH1A1 (0.54) DRD2DRD3ALDH1A1LMNAUSP2
SCHEMBL5577742 0.82 CHRM3 (0.52) ABCB1DRD2DRD3ALDH1A1LMNA
SCHEMBL5577615 0.82 ALDH1A1 (0.59) DRD2DRD3ALDH1A1LMNAUSP2
SCHEMBL5577717 0.82 CHRM3 (0.58) ABCB1DRD2DRD3ALDH1A1LMNA

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 FAP 282/4885ABCB1 325/4885CYP3A4 442/4885

“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.