SCHEMBL2293323

SCHEMBL2293323

CN(C)Cc1c[nH]c2cccc(C#N)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.61
HTR2C P28335 7/20 0.61
HTR2B P41595 7/20 0.61
SLC6A4 P31645 2/20 0.54
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 3/20 0.44
HTR6 P50406 2/20 0.44
DRD1 P21728 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44
ADORA2A P29274 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
SCHEMBL1399182 0.81 SLC6A4 (0.48) HTR2AHTR2CHTR2BSLC6A4KDM4E
SCHEMBL24328229 0.80 SLC6A4 (0.45) HTR2AHTR2CHTR2BSLC6A4KDM4E
SCHEMBL24243719 0.79 HTR2A (0.50) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL26941658 0.79 NR3C2 (0.46) HTR2AHTR2CHTR2BSLC6A4MEN1
SCHEMBL1223582 0.78 GPR84 (0.69) HTR2AHTR2CHTR2BSLC6A4KDM4E
SCHEMBL8546682 0.77 HTR2A (0.62) HTR2AHTR2CHTR2BSLC6A4CYP3A4
SCHEMBL14548391 0.77 NR3C2 (0.44) HTR2AHTR2CHTR2BSLC6A4MEN1
SCHEMBL4204578 0.76 HTR2A (0.72) HTR2AHTR2CHTR2BSLC6A4KDM4E
SCHEMBL1225093 0.76 SLC6A4 (0.68) HTR2AHTR2CHTR2BSLC6A4KDM4E
SCHEMBL30681654 0.76 HTR2A (1.00) HTR2AHTR2CHTR2BKDM4EMEN1

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-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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 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 (1 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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS GPR119, SSTR3, SSTR2 HTR2A 63/4885HTR2C 25/4885HTR2B 34/4885

“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.