SCHEMBL13390751

SCHEMBL13390751

COc1cccc2[nH]cc(CN(C)C)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.74
HTR2A P28223 8/20 0.64
HTR2C P28335 5/20 0.63
HTR2B P41595 5/20 0.63
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR1A P08908 3/20 0.50
DRD3 P35462 4/20 0.46
DRD1 P21728 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL29445150 1.00 HTR6 (0.74) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL29758535 0.85 HTR6 (1.00) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL19235737 0.85 HTR6 (1.00) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL29993252 0.85 HTR6 (1.00) HTR6HTR2AHTR2CHTR2BMTNR1A
Hydrochloric Acid SCHEMBL4208783 0.84 HTR6 (0.97) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL29992863 0.82 HTR6 (0.75) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL8800092 0.82 HTR2A (0.57) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL16437208 0.82 HTR2A (0.69) HTR6HTR2AHTR2CHTR2BMTNR1A
SCHEMBL15678352 0.81 HTR2A (0.56) HTR6HTR2AHTR2CHTR2BKDM4E
SCHEMBL16612881 0.81 HTR2A (0.68) HTR6HTR2AHTR2CHTR2BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 WO disclosed
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-8642785-B2 Photolabile dinitroindolinyl based compounds PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2014-02-04 US disclosed
US-20100096252-A1 PHOTOLABILE DINITROINDOLINYL BASED COMPOUNDS PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF (US) 2010-04-22 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-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 HTR6 2485/4885HTR2A 3031/4885HTR2C 3069/4885
US-20100096252-A1 PHOTOLABILE DINITROINDOLINYL BASED COMPOUNDS AANAT, TPH2, HTR3C HTR6 22/4885HTR2A 41/4885HTR2C 7/4885

“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.