SCHEMBL2243365

SCHEMBL2243365

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL16267050 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29042594 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22320712 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28502131 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1821813 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29445003 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16655509 0.79 DPP4 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL21723903 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL30976692 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL25179558 0.78 DPP4 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204431-B1 TITANIUM PHOSPHINIMIDE AND TITANIUM IMINOIMIDAZOLIDIDE CATALYST SYSTEMS WITH ACTIVATOR-SUPPORTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2023-08-16 EP disclosed
US-11149349-B2 Process for the generation of thin silicon-containing films BASF SE (DE) 2021-10-19 US disclosed
EP-3083048-B1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2021-04-07 EP disclosed
CN-105813742-B Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method using the catalyst 陶氏环球技术有限责任公司 2020-05-15 CN disclosed
US-20190309417-A1 PROCESS FOR THE GENERATION OF THIN SILICON-CONTAINING FILMS BASF SE (DE) 2019-10-10 US disclosed
EP-3532651-A1 PROCESS FOR THE GENERATION OF THIN SILICON-CONTAINING FILMS BASF SE (DE) 2019-09-04 EP disclosed
EP-2536735-B1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2018-08-01 EP disclosed
US-9862734-B2 Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-09 US disclosed
US-9862734-B2 Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-09 US disclosed
US-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC 2016-10-27 US disclosed
US-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC 2016-10-27 US disclosed
EP-3083048-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST Dow Global Technologies LLC (US) 2016-10-26 EP disclosed
WO-2015094513-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2015-06-25 WO disclosed
EP-2536735-A1 METAL-LIGAND COMPLEXES AND CATALYSTS Dow Global Technologies LLC (US) 2012-12-26 EP disclosed
US-8202954-B2 Metal-ligand complexes and catalysts DOW GLOBAL TECHNOLOGIES LLC 2012-06-19 US disclosed
US-8202954-B2 Metal-ligand complexes and catalysts DOW GLOBAL TECHNOLOGIES LLC 2012-06-19 US disclosed
WO-2011102989-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-08-25 WO disclosed
US-20110207902-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 US disclosed
US-20110207902-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 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 (2 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-20110207902-A1 METAL-LIGAND COMPLEXES AND CATALYSTS ZC3HAV1L, FARS2, ACSL4 GABRA1 1692/4885GABRG2 2476/4885GABRB3 2897/4885
US-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST OPRM1, WASF2, WEE1 GABRA1 3207/4885GABRG2 3201/4885GABRB3 3970/4885

“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.