SCHEMBL12401855

SCHEMBL12401855

NCCc1ccc(OCOc2ccc(CCN)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
MAOB P27338 7/20 0.60

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
SCHEMBL6167562 0.87 TAAR1 (0.64) TAAR1MAOB
SCHEMBL8758138 0.84 MAOB (0.50) TAAR1MAOB
SCHEMBL8607813 0.84 LTA4H (0.62) TAAR1MAOB
SCHEMBL1027713 0.82 TAAR1 (0.63) TAAR1MAOB
SCHEMBL4303101 0.82 TAAR1 (0.57) TAAR1MAOB
SCHEMBL8610726 0.82 TAAR1 (0.57) TAAR1MAOB
Hydrochloric Acid SCHEMBL6575644 0.82 LTA4H (0.60) TAAR1MAOB
SCHEMBL2163896 0.82 TAAR1 (0.57) TAAR1MAOB
SCHEMBL14599625 0.82 TAAR1 (0.57) TAAR1MAOB
SCHEMBL10305086 0.80 MAOB (0.58) TAAR1MAOB

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-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M TAAR1 1619/4885MAOB 55/4885

“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.