SCHEMBL5577818

SCHEMBL5577818

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4cccc(C(F)(F)F)c4)cc3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.59
MCHR1 Q99705 1/20 0.55
CHRM3 P20309 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL5577508 0.88 DRD2 (0.58) CCR2MCHR1CHRM3RAB9ALMNA
SCHEMBL5577689 0.88 CCR5 (0.61) MCHR1MEN1KMT2ARAB9ALMNA
SCHEMBL5577417 0.87 NR1H4 (0.58) MCHR1LMNASMN1; SMN2
SCHEMBL5577463 0.87 MCHR1 (0.61) MCHR1CHRM3MEN1KMT2ALMNA
SCHEMBL5577681 0.86 CCR2 (0.56) CCR2CHRM3KCNH2
SCHEMBL5577343 0.85 MEN1 (0.57) MCHR1MEN1KMT2ARAB9ALMNA
SCHEMBL5577516 0.84 ALDH1A1 (0.66) MCHR1KMT2ALMNASMN1; SMN2
SCHEMBL5577878 0.84 CHRM3 (0.52) MCHR1CHRM3RAB9ALMNASMN1; SMN2
SCHEMBL5577714 0.83 NR1H4 (0.53) MCHR1LMNASMN1; SMN2
SCHEMBL5577816 0.83 ALDH1A1 (0.62) CCR2CHRM3PPARGRAB9ALMNA

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 CCR2 489/4885MCHR1 4381/4885CHRM3 2099/4885

“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.