SCHEMBL5296052

SCHEMBL5296052

COc1cc(CC(C)N)cc(SC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5296061 1.00 HTR2A (0.44) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL394373 0.85 PTGS2 (0.55) HTR2A
SCHEMBL20553334 0.85 PTGS2 (0.55) HTR2A
SCHEMBL394374 0.85 PTGS2 (0.55) HTR2A
SCHEMBL26056806 0.84 HTR2A (0.43) HTR2A
Hydrochloric Acid SCHEMBL31545682 0.83 PTGS2 (0.53) HTR2ALMNA
Hydrochloric Acid SCHEMBL35210353 0.83 PTGS2 (0.53) HTR2ALMNA
SCHEMBL5308238 0.80 HTR2A (0.49) HTR2A
SCHEMBL5308233 0.80 HTR2A (0.49) HTR2A
SCHEMBL20970922 0.78 HTR2A (0.71) HTR2AKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-24 US disclosed
US-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-24 US disclosed
WO-2022006186-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-01-06 WO 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 (3 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 18/4885KDM4E 1233/4885ALDH1A1 926/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885KDM4E 1233/4885ALDH1A1 926/4885
US-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS PNMT, HTR2C, HTR2A HTR2A 3/4885KDM4E 659/4885ALDH1A1 868/4885

“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.