SCHEMBL15769062

SCHEMBL15769062

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
P2RX3 P56373 2/20 0.41
LIPG Q9Y5X9 1/20 0.39
ESR2 Q92731 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CYP3A4 P08684 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
MTHFD2 P13995 1/20 0.35
CSF1R P07333 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL15769508 0.88 MCHR1 (0.57) MCHR1CYP3A4
SCHEMBL15769729 0.88 MCHR1 (0.43) MCHR1DRD4DRD2DRD3CYP3A4
SCHEMBL15769095 0.85 MCHR1 (0.38) MCHR1P2RX3ESR2
SCHEMBL15769455 0.85 MCHR1 (0.44) MCHR1
SCHEMBL11424854 0.83 MCHR1 (0.62) MCHR1HDAC1HDAC6CYP3A4
SCHEMBL15769032 0.83 MCHR1 (0.54) MCHR1CYP3A4
SCHEMBL15769134 0.82 MCHR1 (0.54) MCHR1CYP3A4
SCHEMBL15769594 0.82 MCHR1 (0.56) MCHR1CYP3A4
SCHEMBL11426954 0.82 MCHR1 (0.55) MCHR1P2RX3CYP3A4
SCHEMBL15781366 0.81 ESR2 (0.38) MCHR1ESR2GPR119MTHFD2NR1H2

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-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
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 1/4885P2RX3 1674/4885LIPG 4654/4885

“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.