SCHEMBL5577914

SCHEMBL5577914

O=C(NCc1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.59
ALDH1A1 P00352 2/20 0.56
DRD4 P21917 2/20 0.54
DRD2 P14416 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
POLB P06746 1/20 0.53
DRD3 P35462 1/20 0.53
CXCR3 P49682 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
KDM4E B2RXH2 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
SCHEMBL5577761 0.91 CHRM3 (0.58) CHRM3ALDH1A1SMN1; SMN2CXCR3ITGB3
SCHEMBL5577321 0.90 LMNA (0.56) CHRM3ALDH1A1DRD2SMN1; SMN2POLB
SCHEMBL5577791 0.88 CHRM3 (0.54) CHRM3ALDH1A1DRD2SMN1; SMN2DRD3
SCHEMBL5577492 0.88 HSD17B10 (0.66) CHRM3ALDH1A1DRD4DRD2SMN1; SMN2
SCHEMBL5577389 0.87 CHRM3 (0.61) CHRM3ALDH1A1DRD4DRD2SMN1; SMN2
SCHEMBL5577719 0.87 CHRM3 (0.55) CHRM3ALDH1A1DRD4DRD2HTR1A
SCHEMBL5577377 0.85 LMNA (0.53) CHRM3ALDH1A1DRD4DRD2SMN1; SMN2
SCHEMBL20394950 0.85 ALDH1A1 (0.75) ALDH1A1DRD4SMN1; SMN2L3MBTL1MEN1
Hydrochloric Acid SCHEMBL5577682 0.85 SMN1; SMN2 (0.59) CHRM3ALDH1A1DRD4DRD2SMN1; SMN2
SCHEMBL5577312 0.84 SMN1; SMN2 (0.63) ALDH1A1DRD2SMN1; SMN2DRD3MEN1

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 2099/4885ALDH1A1 1147/4885DRD4 4092/4885

“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.