SCHEMBL5527692

SCHEMBL5527692

COc1ccc(CNC(=O)[C@H]2CC[C@@H](Nc3nc(N(C)C)c4cc(F)c(F)cc4n3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.50
ADRA2A P08913 7/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
NPY5R Q15761 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
CHRM4 P08173 1/20 0.44
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5530648 1.00 MCHR1 (0.50) MCHR1ADRA2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL5529401 0.92 MCHR1 (0.53) MCHR1ADRA2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL5529407 0.92 MCHR1 (0.53) MCHR1ADRA2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL4028402 0.91 MCHR1 (0.47) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5521844 0.91 MCHR1 (0.47) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524920 0.91 MCHR1 (0.50) MCHR1ADRA2AALDH1A1HTR1AADRA1A
SCHEMBL5524915 0.91 MCHR1 (0.50) MCHR1ADRA2AALDH1A1HTR1AADRA1A
SCHEMBL4205452 0.91 MCHR1 (0.50) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5523903 0.91 MCHR1 (0.50) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4210370 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MCHR1 1/4885ADRA2A 103/4885ALDH1A1 2069/4885

“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.