SCHEMBL5577584

SCHEMBL5577584

CC1CN(c2ncccc2CNC(=O)c2ccc(Cl)cc2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.47
SCN2A Q99250 3/20 0.47
CXCR3 P49682 6/20 0.45
HIF1A Q16665 4/20 0.41
EPAS1 Q99814 4/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40
GNRHR P30968 1/20 0.40

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
SCHEMBL5577557 0.87 SCN2A (0.46) SCN10ASCN2ACXCR3RXFP1MCHR1
SCHEMBL5577657 0.86 GNRHR (0.45) SCN10ASCN2ACXCR3TP53GNRHR
SCHEMBL5577589 0.85 MT-CO2 (0.43) TP53
SCHEMBL5577645 0.85 SCN10A (0.54) SCN10ASCN2ACXCR3HTR2CMCHR1
SCHEMBL5577304 0.84 CXCR3 (0.46) CXCR3
SCHEMBL5577669 0.83 CXCR3 (0.50) SCN10ASCN2ACXCR3HTR2CMCHR1
SCHEMBL5577898 0.82 CXCR3 (0.48) CXCR3TP53
SCHEMBL5577570 0.82 SMN1; SMN2 (0.53)
SCHEMBL5577844 0.82 SCN10A (0.56) SCN10ASCN2ACXCR3HTR2CMCHR1
SCHEMBL5577851 0.80 CHRM3 (0.46) CXCR3TP53

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 SCN10A 3595/4885SCN2A 3455/4885CXCR3 32/4885

“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.