SCHEMBL15769729

SCHEMBL15769729

O=C(O)N1CCc2oc3cc(-n4ccc(CCc5ccccc5)cc4=O)ccc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.43
DRD4 P21917 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
MTHFD2 P13995 1/20 0.37
HTR6 P50406 1/20 0.37
CYP3A4 P08684 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
HSD17B3 P37058 1/20 0.36

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
SCHEMBL15769062 0.88 MCHR1 (0.42) MCHR1DRD4DRD2DRD3MTHFD2
SCHEMBL15768922 0.85 MCHR1 (0.61) MCHR1CYP3A4
SCHEMBL15769337 0.84 MCHR1 (0.44) MCHR1
SCHEMBL15769003 0.84 MCHR1 (0.38) MCHR1DRD4DRD2DRD3MTHFD2
SCHEMBL15769457 0.80 MCHR1 (0.57) MCHR1CYP3A4
SCHEMBL3477213 0.80 MCHR1 (0.66) MCHR1CYP3A4
SCHEMBL15769417 0.79 HTR6 (0.49) MCHR1HTR6CYP3A4
SCHEMBL15768827 0.79 MCHR1 (0.57) MCHR1CYP3A4
SCHEMBL15769513 0.79 MCHR1 (0.59) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL15769237 0.78 HTR6 (0.48) MCHR1HTR6CYP3A4

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 1/4885DRD4 540/4885DRD2 595/4885

“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.