SCHEMBL5577341

SCHEMBL5577341

O=C(NCc1scnc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.47
CXCR3 P49682 5/20 0.46
MCHR1 Q99705 5/20 0.46
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP2D6 P10635 2/20 0.45
CHRM1 P11229 2/20 0.45
HTR2A P28223 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2C P28335 1/20 0.44
CCR2 P41597 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
SCHEMBL5577358 0.95 DRD2 (0.46) CHRM4CXCR3MCHR1SLC6A12TMEM97
SCHEMBL5577683 0.86 LMNA (0.49) MCHR1SIGMAR1
SCHEMBL5577660 0.83 CXCR3 (0.48) CXCR3MCHR1CYP2D6CHRM1HTR2A
SCHEMBL5577431 0.82 MT-CO2 (0.46) CXCR3MCHR1SIGMAR1
SCHEMBL5577755 0.82 MCHR1 (0.51) CHRM4MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL5577408 0.82 GAA (0.51) MCHR1KCNH2CCR2
SCHEMBL5577831 0.81 DRD2 (0.45) CHRM4MCHR1TMEM97SIGMAR1KCNH2
SCHEMBL5577544 0.80 CXCR3 (0.46) CHRM4CXCR3MCHR1SLC6A12TMEM97
SCHEMBL5577738 0.80 OPRM1 (0.52) CXCR3MCHR1TMEM97SIGMAR1CYP2D6
SCHEMBL5577335 0.79 KCNH2 (0.53) CXCR3KCNH2HRH3MEN1KMT2A

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 1 patent. 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

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 CHRM4 3794/4885CXCR3 32/4885MCHR1 4381/4885

“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.