SCHEMBL5295276

SCHEMBL5295276

CC(Oc1ccc2[nH]cc(CCN(C)C)c2c1)c1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.72
HTR1B P28222 9/20 0.72
HTR1A P08908 7/20 0.68
HTR2A P28223 2/20 0.68
HTR2C P28335 2/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
HTR1E P28566 1/20 0.68
HTR1F P30939 1/20 0.68
HTR7 P34969 1/20 0.68
HTR2B P41595 1/20 0.68
HTR3A P46098 1/20 0.68
HTR5A P47898 1/20 0.68
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
HTR6 P50406 1/20 0.68
HTR4 Q13639 1/20 0.68

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
SCHEMBL27084735 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL30630304 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL132733 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL27221706 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL29351950 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL31098269 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL25330504 0.80 HTR1D (0.97) HTR1DHTR1BHTR1AHTR2AHTR2C
Mebufotenin SCHEMBL26111484 0.80 HTR1D (0.97) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL30630492 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL23069154 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C

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 HTR1D 129/4885HTR1B 41/4885HTR1A 29/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR1D 129/4885HTR1B 41/4885HTR1A 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.