SCHEMBL275458

SCHEMBL275458

NC1Cc2ccccc2C#Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
ANPEP P15144 3/20 0.40
KDM1A O60341 4/20 0.39
HRH1 P35367 2/20 0.37
HTR2C P28335 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
AADAT Q8N5Z0 2/20 0.35
GOT1 P17174 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35

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
SCHEMBL269829 0.77 GRIN1 (0.34) HTR2AKDM1ASIGMAR1
SCHEMBL24386022 0.77 HTR2A (0.32) HTR2AKDM1A
SCHEMBL26678187 0.77 HTR2A (0.32) HTR2AKDM1A
SCHEMBL20863923 0.77 ACHE (0.44) HTR2AHTR2C
SCHEMBL31373438 0.77
SCHEMBL2463276 0.77
SCHEMBL31373436 0.77
SCHEMBL23879407 0.77 IDO1 (0.47) HTR2AKDM1AHRH1HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL19926846 0.74 KDM1A (0.57) HTR2AANPEPKDM1AHRH1HTR2C
SCHEMBL16803947 0.73 HTR2A (0.37) HTR2AANPEPHRH1HTR2C

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932297-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-04-03 US disclosed
US-9932297-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-04-03 US disclosed
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2017-11-09 US disclosed
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2017-11-09 US disclosed
US-9725405-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-08-08 US disclosed
US-9725405-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-08-08 US disclosed
EP-2879665-B1 POLYMERIC STRUCTURES CONTAINING STRAINED CYCLOALKYNE FUNCTIONALITY FOR POST-FABRICATION AZIDEALKYNE CYCLOADDITION FUNCTIONALIZATION UNIV AKRON (US) 2017-03-29 EP disclosed
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-06-09 US disclosed
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-06-09 US disclosed
US-9227943-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-01-05 US disclosed
US-20120322974-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-12-20 US disclosed
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-07-05 US disclosed
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-07-05 US disclosed
US-8133515-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-13 US disclosed
US-8133515-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-13 US disclosed
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-02-16 US disclosed
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-02-16 US disclosed
US-20100297250-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-11-25 US disclosed
US-20100297250-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-11-25 US disclosed
WO-2009067663-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-05-28 WO 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 (6 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-20100297250-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885
US-20120322974-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885ANPEP 760/4885KDM1A 1424/4885

“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.