SCHEMBL5577372

SCHEMBL5577372

N#CC1(c2ccccc2CNC(=O)c2ccc(Cl)cc2)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.44
MCHR1 Q99705 4/20 0.44
HTR2C P28335 2/20 0.44
GNRHR P30968 1/20 0.43
PRKAA2 P54646 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR2 P41597 1/20 0.43
OPRL1 P41146 1/20 0.42
SLC6A12 P48065 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 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 0.86 MCHR1 (0.45) MCHR1HTR2CPRKAA2CHRM3
SCHEMBL5577287 0.86 ACKR3 (0.48) MCHR1ALDH1A1OPRL1
SCHEMBL5577324 0.85 PRKAA2 (0.49) GPR183MCHR1PRKAA2ALDH1A1OPRL1
SCHEMBL5577401 0.84 MT-CO2 (0.47) GNRHROPRL1CHRM3
SCHEMBL5577349 0.83 CHRM3 (0.52) PRKAA2ALDH1A1OPRL1CHRM4CHRM3
SCHEMBL5577432 0.80 PRKAA2 (0.47) MCHR1PRKAA2CHRM3
SCHEMBL5577487 0.80 PRKAA2 (0.47) GPR183MCHR1HTR2CPRKAA2
SCHEMBL5577711 0.79 PRKAA2 (0.46) GPR183MCHR1HTR2CPRKAA2
SCHEMBL5577899 0.76 MCHR1 (0.47) MCHR1HTR2CPRKAA2CHRM3
SCHEMBL5577895 0.75 DRD2 (0.53) MCHR1

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 GPR183 1086/4885MCHR1 4381/4885HTR2C 2626/4885

“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.