SCHEMBL5577899

SCHEMBL5577899

O=C(NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
HTR2C P28335 5/20 0.47
JAK1 P23458 1/20 0.44
PRKAA2 P54646 1/20 0.44
DRD2 P14416 2/20 0.43
CHRM3 P20309 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42

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
SCHEMBL5577441 0.88 MCHR1 (0.45) MCHR1HTR2CPRKAA2CHRM3TP53
SCHEMBL5577424 0.86 DRD2 (0.48) MCHR1JAK1DRD2CHRM3TP53
SCHEMBL5577723 0.84 MT-CO2 (0.46) MCHR1HTR2CPRKAA2TP53
SCHEMBL5577831 0.83 DRD2 (0.45) MCHR1HTR2CPRKAA2DRD2CHRM3
SCHEMBL5577645 0.82 SCN10A (0.54) MCHR1HTR2CPRKAA2
SCHEMBL5577464 0.81 KLKB1 (0.48) MCHR1PRKAA2DRD2CHRM3
SCHEMBL5577755 0.81 MCHR1 (0.51) MCHR1HTR2C
SCHEMBL5577844 0.79 SCN10A (0.56) MCHR1HTR2CPRKAA2
SCHEMBL5577641 0.78 MCHR1 (0.51) MCHR1HTR2CDRD2TP53RXFP1
SCHEMBL5577825 0.78 PRKAA2 (0.44) MCHR1HTR2CPRKAA2DRD2CHRM3

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 MCHR1 4381/4885HTR2C 2626/4885JAK1 202/4885

“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.