SCHEMBL9956785

SCHEMBL9956785

Cc1cncc(C#C[Si](C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.50
HCAR2 Q8TDS4 1/20 0.36
CYP2A6 P11509 2/20 0.36
ATM Q13315 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
SCHEMBL22531723 0.89 GRM5 (0.38) GRM5CYP2A6
SCHEMBL31014678 0.81 GRM5 (0.34) GRM5CYP2A6
SCHEMBL14903886 0.80 GRM5 (0.51) GRM5HCAR2CYP2A6ATM
SCHEMBL6553370 0.79 FFAR1 (0.34) GRM5
SCHEMBL503406 0.79 GRM5 (0.33) GRM5CYP2A6
SCHEMBL12938274 0.79 GRM5 (0.39) GRM5HCAR2
SCHEMBL1476913 0.79 GRM5 (0.40) GRM5HCAR2
SCHEMBL503839 0.79 KDM4E (0.34) GRM5CYP2A6
SCHEMBL1476678 0.79 RAF1 (0.38) GRM5
SCHEMBL29434830 0.79 GRM5 (0.40) GRM5HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
CN-116546984-A Selective agonists of 5-HT2A receptors and methods of use thereof 耶鲁大学 2023-08-04 CN disclosed
EP-4216949-A1 SELECTIVE AGONISTS OF 5-HT2A RECEPTOR AND METHODS OF USE Yale University (US) 2023-08-02 EP disclosed
WO-2018011094-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2018-01-18 WO disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
EP-2655326-A1 4- (HETERO) ARYL - ETHYNYL - OCTAHYDRO - INDOLE - 1 - CARBOXYLIC ACID ESTERS Novartis AG (CH) 2013-10-30 EP disclosed
US-20130274294-A1 4-(Hetero)Aryl-Ethynyl-Octahydro-Indole-1-Esters NOVARTIS PHARMA AG (CH) 2013-10-17 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012084873-A1 4- (HETERO) ARYL - ETHYNYL - OCTAHYDRO - INDOLE - 1 - CARBOXYLIC ACID ESTERS NOVARTIS AG (CH) 2012-06-28 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 (3 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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B GRM5 39/4885HCAR2 68/4885CYP2A6 1214/4885
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 GRM5 2634/4885HCAR2 4026/4885CYP2A6 4180/4885
US-20130274294-A1 4-(Hetero)Aryl-Ethynyl-Octahydro-Indole-1-Esters IDO1, TPH1, IDO2 GRM5 775/4885HCAR2 239/4885CYP2A6 102/4885

“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.