SCHEMBL5289145

SCHEMBL5289145

CN[C@H](C)Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
G6PD P11413 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5289140 1.00 PTGS2 (0.52) PTGS2HTR2AHTR2CHTR2BTAAR1
SCHEMBL26056853 0.82 HTR2A (0.38) PTGS2HTR2AHTR2CHTR2BTAAR1
SCHEMBL5572443 0.80 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2B
SCHEMBL10998613 0.80 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2B
SCHEMBL30559576 0.80 CA2 (0.60) TAAR1
SCHEMBL8828295 0.80 CA2 (0.60) TAAR1
SCHEMBL1023836 0.80 CA2 (0.60) TAAR1
SCHEMBL1026086 0.80 CA2 (0.60) TAAR1
Hydrochloric Acid SCHEMBL23524379 0.79 CA2 (0.58) SIGMAR1
SCHEMBL4390554 0.77 TAAR1 (0.48) TAAR1SLC18A2SIGMAR1

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 PTGS2 1270/4885HTR2A 18/4885HTR2C 44/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT PTGS2 1270/4885HTR2A 18/4885HTR2C 44/4885

“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.