SCHEMBL5577898

SCHEMBL5577898

CC1CN(c2cc(CNC(=O)c3ccc(Cl)cc3)ccn2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.48
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
MMP13 P45452 1/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MLLT1 Q03111 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL5577798 0.88 GAA (0.46) CXCR3POLBMAPT
SCHEMBL5577570 0.85 SMN1; SMN2 (0.53) MLLT1POLBMAPT
SCHEMBL5577616 0.85 KLKB1 (0.52) CXCR3KLKB1KLK1KCNH2HRH3
SCHEMBL5577608 0.84 MT-CO2 (0.45) CXCR3KLKB1
SCHEMBL5577851 0.84 CHRM3 (0.46) CXCR3POLBTP53MAPTTHRB
SCHEMBL5577690 0.83 CXCR3 (0.58) CXCR3KLKB1KLK1KCNH2HRH3
SCHEMBL5577584 0.82 SCN10A (0.47) CXCR3TP53
SCHEMBL5577527 0.81 OPRM1 (0.54) CXCR3KLKB1KLK1DRD4DRD2
SCHEMBL5577304 0.81 CXCR3 (0.46) CXCR3MLLT1
SCHEMBL5577938 0.80 CXCR3 (0.44) CXCR3MLLT1MAPT

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 CXCR3 32/4885KLKB1 2759/4885KLK1 2000/4885

“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.