SCHEMBL15769003

SCHEMBL15769003

O=C(O)N1CCc2oc3cc(-n4ccc(CCc5ccc(Cl)cn5)cc4=O)ccc3c2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.38
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 2/20 0.35
MTHFD2 P13995 3/20 0.34
GRM5 P41594 1/20 0.33
MTHFD1 P11586 1/20 0.32

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
SCHEMBL15769337 0.90 MCHR1 (0.44) MCHR1
SCHEMBL15769348 0.89 MCHR1 (0.36) MCHR1DRD2DRD4DRD3MTHFD2
SCHEMBL15769095 0.89 MCHR1 (0.38) MCHR1
SCHEMBL15769489 0.86 MCHR1 (0.53) MCHR1
SCHEMBL15769729 0.84 MCHR1 (0.43) MCHR1DRD2DRD4DRD3MTHFD2
SCHEMBL15769623 0.84 MCHR1 (0.37) MCHR1DRD2DRD4DRD3MTHFD2
SCHEMBL15769393 0.82 MCHR1 (0.52) MCHR1
SCHEMBL15769133 0.82 MCHR1 (0.48) MCHR1
SCHEMBL15769290 0.82 MCHR1 (0.37) MCHR1
Hydrochloric Acid SCHEMBL15769132 0.81 MCHR1 (0.48) 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 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 1/4885DRD2 595/4885DRD4 540/4885

“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.