SCHEMBL5309200

SCHEMBL5309200

CCOC(=O)Cc1cc(OC)c(CC(C)N)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.65
HTR2A P28223 2/20 0.59
HTR1A P08908 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL14570472 1.00 TAAR1 (0.65) TAAR1HTR2AHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5309205 0.99 TAAR1 (0.63) TAAR1HTR2A
Hydrochloric Acid SCHEMBL5309198 0.99 TAAR1 (0.63) TAAR1HTR2A
SCHEMBL8282635 0.80 CYP3A4 (0.51) TAAR1HTR2A
SCHEMBL1740704 0.80 TAAR1 (1.00) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL1740705 0.80 TAAR1 (1.00) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL31063152 0.80 DPP4 (0.42) TAAR1
SCHEMBL31456004 0.79 HMGCR (0.49) TAAR1
Hydrochloric Acid SCHEMBL29844954 0.78 TAAR1 (0.96) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL31455983 0.78 CA1 (0.51) TAAR1HTR2AHTR2C

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
WO-2007038372-A1 PHENYLETHYLAMINE ANALOGS AND THEIR USE FOR TREATING GLAUCOMA ALCON, INC. (CH) 2007-04-05 WO disclosed
US-20070072920-A1 Phenylethylamine analogs and their use for treating glaucoma ALCON, INC. 2007-03-29 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-20070072920-A1 Phenylethylamine analogs and their use for treating glaucoma PNMT, PIGO, PDE2A TAAR1 565/4885HTR2A 514/4885HTR1A 914/4885

“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.