SCHEMBL13675478

SCHEMBL13675478

CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL17952636 0.89 DPP4 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16549063 0.89 LMNA (0.35) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL24851125 0.89 DPP4 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL23059125 0.87 DPP4 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20146595 0.85 TSHR (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL17169612 0.85 TSHR (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL19449636 0.85 TSHR (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL24613029 0.83 DPP4 (0.32) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20408261 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL24063407 0.83 TSHR (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 US disclosed
WO-2023135582-A1 NEW STEREORETENTIVE RUTHENIUM COMPLEXES, METHOD OF THEIR PREPARATION, INTERMEDIATES USED IN THIS METHOD AND USE OF NEW STEREORETENTIVE RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2023-07-20 WO disclosed
US-20220009854-A1 A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES UNIVERSITY OF YORK (GB) 2022-01-13 US disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
US-9932359-B2 Organic electroluminescent materials and devices UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-04-03 US disclosed
US-9773986-B2 Copper(I)-carbene complexes and organic electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
EP-2501707-B1 3-COORDINATE COPPER (I) - CARBENE COMPLEXES UNIV SOUTHERN CALIFORNIA (US) 2017-08-02 EP disclosed
US-20170018599-A1 Pyridone Dye Composition CLARIANT INTERNATIONAL LTD. (CH) 2017-01-19 US disclosed
US-9464097-B2 Gold complexes UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2016-10-11 US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 US disclosed
US-20160016976-A2 GOLD COMPLEXES UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-01-21 US disclosed
WO-2011154700-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2011-12-15 WO disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 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 (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-20220009854-A1 A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES SPR, YAP1, KRAS GABRA1 4805/4885GABRG2 4154/4885GABRB3 4376/4885
US-20160016976-A2 GOLD COMPLEXES MCL1, HUNK, DKC1 GABRA1 2739/4885GABRG2 2487/4885GABRB3 2030/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD GABRA1 251/4885GABRG2 249/4885GABRB3 108/4885

“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.