SCHEMBL15769609

SCHEMBL15769609

O=C(O)N1CCc2oc3cc(N4CCN(CCc5ccc(Cl)cn5)CC4=O)ccc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.40
ADRA2A P08913 4/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
ADRA1A P35348 3/20 0.36
MTHFD2 P13995 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 2/20 0.35
F10 P00742 1/20 0.33
ASAH1 Q13510 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL15769296 0.95 MCHR1 (0.40) MCHR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15768941 0.91 MCHR1 (0.41) MCHR1MTHFD2
SCHEMBL15769267 0.89 MCHR1 (0.39) MCHR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15769194 0.88 MCHR1 (0.52) MCHR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15781261 0.86 MCHR1 (0.44) MCHR1DRD2DRD4DRD3FNTA
SCHEMBL15769715 0.86 MCHR1 (0.43) MCHR1MTHFD2
SCHEMBL15769478 0.85 MCHR1 (0.46) MCHR1ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL15768910 0.85 MCHR1 (0.46) MCHR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15769539 0.85 MCHR1 (0.38) MCHR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15781379 0.85 MCHR1 (0.53) MCHR1DRD2DRD4DRD3FNTA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885ADRA2A 754/4885ADRA2B 504/4885

“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.