SCHEMBL5577544

SCHEMBL5577544

O=C(NCc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.46
MCHR1 Q99705 4/20 0.46
HTR2C P28335 1/20 0.46
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CHRM4 P08173 2/20 0.45
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
PRKAA2 P54646 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5577923 0.95 HTR2C (0.46) CXCR3MCHR1HTR2CKCNH2HRH3
SCHEMBL5577718 0.85 LMNA (0.49) CXCR3MCHR1SIGMAR1
SCHEMBL5577855 0.83 GLS (0.49) CXCR3MCHR1PRKAA2
SCHEMBL5577334 0.83 MT-CO2 (0.45) CXCR3MCHR1HTR2CSIGMAR1KCNH2
SCHEMBL5577552 0.81 GAA (0.49) MCHR1
SCHEMBL5577825 0.81 PRKAA2 (0.44) CXCR3MCHR1HTR2CTMEM97SIGMAR1
SCHEMBL5577341 0.80 CHRM4 (0.47) CXCR3MCHR1HTR2CSLC6A12TMEM97
SCHEMBL5577887 0.80 OPRM1 (0.51) CXCR3MCHR1HTR2CTMEM97SIGMAR1
SCHEMBL5577335 0.79 KCNH2 (0.53) CXCR3KCNH2HRH3MEN1KMT2A
SCHEMBL5577720 0.78 MT-CO2 (0.44) MCHR1HTR2CSIGMAR1KCNH2HTR2A

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 32/4885MCHR1 4381/4885HTR2C 2626/4885

“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.