SCHEMBL5577690

SCHEMBL5577690

CC1CN(Cc2ccc(F)cc2)CCN1c1cc(CNC(=O)c2ccc(Cl)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.58
CCR1 P32246 6/20 0.48
KLKB1 P03952 2/20 0.46
KLK1 P06870 2/20 0.46
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL5577739 0.88 CXCR3 (0.51) CXCR3
SCHEMBL5577684 0.85 CXCR3 (0.51) CXCR3CCR1MEN1KMT2A
SCHEMBL5577616 0.85 KLKB1 (0.52) CXCR3KLKB1KLK1KCNH2HRH3
SCHEMBL5577911 0.84 MT-CO2 (0.45) CXCR3CCR1KLKB1KLK1KMT2A
SCHEMBL5578697 0.84 CXCR3 (0.52) CXCR3CCR1MEN1KMT2A
SCHEMBL5577898 0.83 CXCR3 (0.48) CXCR3KLKB1KLK1KCNH2HRH3
SCHEMBL5577669 0.82 CXCR3 (0.50) CXCR3CCR1MEN1KMT2A
SCHEMBL5577527 0.81 OPRM1 (0.54) CXCR3KLKB1KLK1KCNH2HRH3
SCHEMBL5577303 0.81 CCR1 (0.50) CXCR3CCR1MEN1KMT2AFPR3
SCHEMBL5577457 0.80 KCNH2 (0.51) CXCR3KLKB1KLK1KCNH2HRH3

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 32/4885CCR1 103/4885KLKB1 2759/4885

“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.