SCHEMBL5577669

SCHEMBL5577669

CC1CN(Cc2ccc(F)cc2)CCN1c1ncccc1CNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.50
CCR1 P32246 4/20 0.47
MCHR1 Q99705 5/20 0.45
HTR2C P28335 4/20 0.45
SCN2A Q99250 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKAA2 P54646 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL5577347 0.87 GAA (0.46) CXCR3MCHR1SCN2ASCN10AMEN1
SCHEMBL5577730 0.86 CCR1 (0.48) CXCR3CCR1MCHR1HTR2CMEN1
SCHEMBL5577376 0.85 MAPK8 (0.43) CXCR3CCR1MCHR1HTR2CMEN1
SCHEMBL5577645 0.85 SCN10A (0.54) CXCR3MCHR1HTR2CSCN2ASCN10A
SCHEMBL5577303 0.84 CCR1 (0.50) CXCR3CCR1MCHR1MEN1KMT2A
SCHEMBL5577584 0.83 SCN10A (0.47) CXCR3MCHR1HTR2CSCN2ASCN10A
SCHEMBL5577690 0.82 CXCR3 (0.58) CXCR3CCR1MEN1KMT2A
SCHEMBL5577684 0.82 CXCR3 (0.51) CXCR3CCR1MEN1KMT2A
SCHEMBL5577844 0.82 SCN10A (0.56) CXCR3MCHR1HTR2CSCN2ASCN10A
SCHEMBL5577641 0.81 MCHR1 (0.51) MCHR1HTR2CMEN1KMT2A

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 103/4885MCHR1 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.