SCHEMBL5300541

SCHEMBL5300541

COc1cc(C)c(CC(C)N)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.72
TAAR1 Q96RJ0 2/20 0.62
HTR1A P08908 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL30886920 0.91 HTR2A (0.65) HTR2ATAAR1HTR1AHTR2CHTR2B
Dom SCHEMBL398119 0.87 HTR2A (0.76) HTR2ATAAR1HTR1AHTR2CHTR2B
Dom SCHEMBL1742173 0.87 HTR2A (0.76) HTR2ATAAR1HTR1AHTR2CHTR2B
Dom SCHEMBL988769 0.85 HTR2A (0.73) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL18867916 0.84 HTR2A (0.50) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL398580 0.84 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL398581 0.84 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL29425260 0.84 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL30341559 0.82 HTR2A (0.96) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL28663880 0.81 HTR2A (0.47) HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646900-B n-type semiconductor element, method for manufacturing the same, wireless communication device, and merchandise tag 东丽株式会社 2022-05-13 CN disclosed
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 1075/4885HTR1A 29/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885TAAR1 1075/4885HTR1A 29/4885

“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.