SCHEMBL269189

SCHEMBL269189

OC1Cc2ccccc2C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
CYP2D6 P10635 2/20 0.38
PARP1 P09874 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL269188 1.00 HTR2A (0.39) HTR2ACYP2D6PARP1CA1CA2
SCHEMBL12228571 0.78
SCHEMBL16870529 0.78 GRIN2D (0.45) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30968744 0.78
SCHEMBL22295673 0.76 HTR2A (0.39) HTR2ACYP2D6PARP1CA1CA2
SCHEMBL20146261 0.76 HTR2A (0.47) HTR2AIDO1HTR2CHRH1
SCHEMBL1276091 0.75 HTR2A (0.50) HTR2ACYP2D6MAOAMAOBKDM4E
SCHEMBL31099344 0.75 HTR2A (0.50) HTR2ACYP2D6MAOAMAOBKDM4E
SCHEMBL15233622 0.75 PARP1 (0.36) HTR2ACYP2D6PARP1CA1CA2
SCHEMBL1143179 0.75 PARP1 (0.36) HTR2ACYP2D6PARP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025029623-A2 LIGHT-TRIGGERED POLYMER-NALOXONE CONJUGATE FOR OPIOID REVERSAL THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-02-06 WO disclosed
EP-2907525-B1 DIBENZOCYCLOOCTENE-COMPOUNDS FOR BIOORTHOGONAL REACTIONS UNIV GEORGIA (US) 2018-05-16 EP 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-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-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
EP-2907525-A2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds University Of Georgia Research Foundation, Inc. (US) 2015-08-19 EP disclosed
US-20150126706-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-05-07 US disclosed
EP-2222341-B1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIV GEORGIA (US) 2015-02-25 EP disclosed
US-8940859-B2 Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-01-27 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20120040011-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20170320815-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20120322974-A9 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20150126706-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20120172575-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885
US-20160159732-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS ALG1, ST3GAL3, B3GNT2 HTR2A 2987/4885CYP2D6 1242/4885PARP1 373/4885

“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.