SCHEMBL5469181

SCHEMBL5469181

CCOc1cc2c(cc1CC(C)N)OCO2

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29417349 0.84 HTR2A (0.64) TAAR1HTR2A
SCHEMBL2560485 0.84 HTR2A (0.64) TAAR1HTR2A
SCHEMBL24163682 0.82 CYP2D6 (0.52) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5297176 0.80 HTR2A (0.61) TAAR1HTR2A
SCHEMBL5297187 0.80 HTR2A (0.61) TAAR1HTR2A
SCHEMBL24299896 0.77 IGF1R (0.44) ALDH1A1MAPT
SCHEMBL5308044 0.76 HTR2A (0.77) TAAR1HTR2A
SCHEMBL5308049 0.76 HTR2A (0.77) TAAR1HTR2A
SCHEMBL10322333 0.75 TAAR1 (0.57) TAAR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5305069 0.74 HTR2A (0.74) TAAR1HTR2A

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-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
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 TAAR1 1075/4885SLC6A2 97/4885SLC6A4 178/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT TAAR1 1075/4885SLC6A2 97/4885SLC6A4 178/4885

“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.