SCHEMBL5577641

SCHEMBL5577641

O=C(NCc1cccnc1C1CCN(Cc2ccc(F)cc2)C1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.51
HTR2C P28335 3/20 0.51
CCR2 P41597 4/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CCR3 P51677 1/20 0.44
CHRM4 P08173 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL5577755 0.95 MCHR1 (0.51) MCHR1HTR2CCCR2SLC6A12TMEM97
SCHEMBL5577425 0.86 ACKR3 (0.50) MCHR1DRD2KCNH2MEN1KMT2A
SCHEMBL5577695 0.85 CCR2 (0.52) MCHR1HTR2CCCR2DRD2DRD4
SCHEMBL5577773 0.84 MT-CO2 (0.45) MCHR1HTR2CMEN1KMT2ATP53
SCHEMBL5577358 0.83 DRD2 (0.46) MCHR1HTR2CCCR2DRD2DRD4
SCHEMBL5577845 0.81 ACKR3 (0.53) MCHR1DRD2SIGMAR1MEN1KMT2A
SCHEMBL5577669 0.81 CXCR3 (0.50) MCHR1HTR2CMEN1KMT2A
SCHEMBL5577457 0.81 KCNH2 (0.51) MCHR1HTR2CCCR2KCNH2HRH3
SCHEMBL5577873 0.81 DRD2 (0.53) CCR2DRD2KCNH2HRH3MEN1
SCHEMBL5577645 0.80 SCN10A (0.54) 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 MCHR1 4381/4885HTR2C 2626/4885CCR2 489/4885

“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.