SCHEMBL5290929

SCHEMBL5290929

COc1ccc(Br)c(OC)c1C[C@@H](C)N

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
TAAR1 Q96RJ0 2/20 0.49

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
SCHEMBL5290921 1.00 HTR2A (0.49) HTR2ATAAR1
SCHEMBL5304582 0.87 HTR2A (0.49) HTR2ATAAR1
SCHEMBL5304577 0.87 HTR2A (0.49) HTR2ATAAR1
SCHEMBL29543321 0.86 HTR2A (0.50) HTR2A
SCHEMBL397843 0.86 HTR2A (0.50) HTR2A
SCHEMBL397844 0.86 HTR2A (0.50) HTR2A
SCHEMBL5478569 0.81 HTR2A (0.51) HTR2ATAAR1
SCHEMBL5297892 0.79 HTR2A (0.55) HTR2ATAAR1
SCHEMBL5297890 0.79 HTR2A (0.55) HTR2ATAAR1
SCHEMBL25235084 0.77 TUBB1 (0.42)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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 (2 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885TAAR1 1075/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885TAAR1 1075/4885

“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.