SCHEMBL5577342

SCHEMBL5577342

Cc1cccc(C(=O)NCc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.57
DRD2 P14416 3/20 0.57
CCR2 P41597 5/20 0.52
CHRM3 P20309 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
MCHR1 Q99705 3/20 0.47
HTR2C P28335 1/20 0.47
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
CHRM4 P08173 1/20 0.45

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
SCHEMBL5577428 0.86 SIGMAR1 (0.47) DRD4SIGMAR1MCHR1HTR2CSLC6A12
SCHEMBL5577884 0.86 SIGMAR1 (0.47) DRD4DRD2SIGMAR1MCHR1SLC6A12
SCHEMBL5577373 0.84 SIGMAR1 (0.48) SIGMAR1MCHR1HTR2CSLC6A12TMEM97
SCHEMBL5577451 0.84 SIGMAR1 (0.48) DRD2SIGMAR1MCHR1SLC6A12TMEM97
SCHEMBL5577858 0.84 SIGMAR1 (0.56) SIGMAR1MCHR1SLC6A12TMEM97CHRM4
SCHEMBL5577515 0.84 POLB (0.53) SIGMAR1MCHR1SLC6A12TMEM97
SCHEMBL5577659 0.83 SIGMAR1 (0.52) SIGMAR1MCHR1SLC6A12TMEM97CHRM4
SCHEMBL5577906 0.83 SIGMAR1 (0.48) SIGMAR1MCHR1HTR2CSLC6A12TMEM97
SCHEMBL5577726 0.83 SIGMAR1 (0.51) SIGMAR1MCHR1SLC6A12TMEM97CHRM4
SCHEMBL5577846 0.83 MT-CO2 (0.51) SIGMAR1MCHR1SLC6A12TMEM97

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 DRD4 4092/4885DRD2 4468/4885CCR2 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.