SCHEMBL126196

SCHEMBL126196

CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1

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 1/20 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
Hydrochloric Acid SCHEMBL360317 0.98 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
Iodide SCHEMBL28724212 0.98 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL6458019 0.94 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL31434318 0.92 DPP4 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL14569047 0.91 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29021832 0.89 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13580007 0.89 TSHR (0.35) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16946344 0.89 FAAH (0.42) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL21361147 0.89 DPP4 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16545308 0.88 TSHR (0.44) 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 1319 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192258-A Synthesis method of 3-substituted N-aryl pyrrolidine 兰州大学 2025-06-24 CN claimed
CN-120117993-A Method for synthesizing hole transport material Spiro-OMeTAD by nickel-based catalyst catalysis 陕西师范大学 2025-06-10 CN claimed
CN-119912431-A Preparation method and control of Abeli impurity A 江苏天士力帝益药业有限公司 2025-05-02 CN claimed
CN-119790028-A Method for preparing aromatic and heteroaromatic compounds from external ring pi system 南方科技大学 2025-04-08 CN claimed
CN-118994215-A Nucleophilic carborane cage boron-magnesium metal reagent and preparation method and application thereof 南方科技大学 2024-11-22 CN claimed
CN-118956379-A Organic electroluminescent material containing double main bodies, and preparation method and application thereof 吉林奥来德光电材料股份有限公司 2024-11-15 CN claimed
CN-116143602-B Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof 西南大学 2024-10-22 CN claimed
CN-115785135-B Polysubstituted prenyl borate and synthesis method thereof 南京理工大学 2024-09-13 CN claimed
EP-3016991-B1 LIQUID MOLDING COMPOSITIONS MATERIA INC (US) 2024-06-12 EP claimed
EP-4139281-B1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES UNIV HEIDELBERG (DE) 2024-05-08 EP claimed
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2008-11-27 US claimed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
EP-1704172-A1 LINEAR FUNCTIONAL COPOLYMERS OF ETHYLENE WITH PRECISE AND MINIMUM RUN LENGTH DISTRIBUTIONS AND METHODS OF MAKING THEREOF ExxonMobil Research and Engineering Company (US) 2006-09-27 EP claimed
US-20060128935-A1 Manufacture of macrocyclic polyester oligomers E. I. DU PONT DE NEMOURS AND COMPANY 2006-06-15 US claimed
WO-2005063834-A1 LINEAR FUNCTIONAL COPOLYMERS OF ETHYLENE WITH PRECISE AND MINIMUM RUN LENGTH DISTRIBUTIONS AND METHODS OF MAKING THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-07-14 WO claimed
US-20050137369-A1 Linear functional copolymers of ethylene with precise and minimum run length distributions and method of making thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2005-06-23 US claimed
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. 2002-11-21 US claimed

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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 GABRA1 3435/4885GABRG2 3152/4885GABRB3 3132/4885
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS FFAR4, FASN, CEL GABRA1 851/4885GABRG2 591/4885GABRB3 1734/4885
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds INTS6, PRDX6, PRDX2 GABRA1 4328/4885GABRG2 3509/4885GABRB3 3915/4885

“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.