SCHEMBL15769417

SCHEMBL15769417

O=c1cc(CCc2ccccc2)ccn1-c1ccc2c3c(oc2c1)CCNC3

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.49
MCHR1 Q99705 11/20 0.48
CYP3A4 P08684 2/20 0.48

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
Hydrochloric Acid SCHEMBL15769237 0.99 HTR6 (0.48) HTR6MCHR1CYP3A4
SCHEMBL15782580 0.94 HTR6 (0.51) HTR6MCHR1CYP3A4
Hydrochloric Acid SCHEMBL15769271 0.93 HTR6 (0.50) HTR6MCHR1CYP3A4
SCHEMBL15769227 0.85 MCHR1 (0.63) HTR6MCHR1CYP3A4
SCHEMBL15768882 0.84 MCHR1 (0.68) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL15769259 0.84 MCHR1 (0.67) MCHR1CYP3A4
SCHEMBL15781427 0.83 MCHR1 (0.39) HTR6MCHR1CYP3A4
SCHEMBL15769133 0.82 MCHR1 (0.48) HTR6MCHR1CYP3A4
SCHEMBL15769052 0.82 MCHR1 (0.48) HTR6MCHR1
Hydrochloric Acid SCHEMBL15769132 0.82 MCHR1 (0.48) HTR6MCHR1CYP3A4

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 3 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
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 HTR6 33/4885MCHR1 1/4885CYP3A4 652/4885

“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.