SCHEMBL456981

SCHEMBL456981

CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 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
Hydrochloric Acid SCHEMBL739371 0.98 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3TSHR
Hydrochloric Acid SCHEMBL1727636 0.96 DPP4 (0.40) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL20408268 0.91 HTR7 (0.43) FAAHDPP4NR1H2NR1H3ALDH1A1
SCHEMBL17505334 0.89 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL29523444 0.88 DPP4 (0.41) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL1047507 0.86 ALDH1A1 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL16385896 0.86 HTR1A (0.39) GABRA1GABRG2GABRB3LMNAHTR2C
Hydrochloric Acid SCHEMBL29070208 0.85 DPP4 (0.36) GABRA1GABRB2GABRG2GABRB3TSHR
Hydrochloric Acid SCHEMBL820072 0.85 ALDH1A1 (0.38) GABRA1GABRB2GABRG2GABRB3TSHR
Hydrochloric Acid SCHEMBL1609149 0.85 ADRB1 (0.44) TSHRLMNAHPGDALDH1A1ALOX15

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 669 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024256574-A1 PROCESS FOR PREPARING MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO claimed
CN-118562303-A Composition of high-pressure-resistant VW-1 flame-retardant silicone rubber 力元材料科技(广东)有限公司 2024-08-30 CN claimed
EP-3016991-B1 LIQUID MOLDING COMPOSITIONS MATERIA INC (US) 2024-06-12 EP claimed
US-20240116039-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE UMICORE AG & CO. KG (DE) 2024-04-11 US claimed
CN-117843428-A endo/exo 3, 4-disubstituted tricyclo [4.2.1.0 2,5 ]Process for preparing non-3, 7-diene compound 湖南师范大学 2024-04-09 CN claimed
EP-3256505-B1 CYCLIC OLEFIN RESIN COMPOSITIONS COMPRISING FUNCTIONAL ELASTOMERS MATERIA INC (US) 2023-11-29 EP claimed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN claimed
US-20230149911-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE UMICORE AG & CO. KG (DE) 2023-05-18 US claimed
US-11577232-B2 Ruthenium-based metathesis catalysts, precursors for their preparation and their use UMICORE AG & CO. KG (DE) 2023-02-14 US claimed
CN-114502558-A Method for preparing activin receptor-like kinase inhibitors 缆图药品公司 2022-05-13 CN claimed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 US claimed
US-20090062475-A1 Production of elastomeric functionalized olefin polymers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2009-03-05 US claimed
US-20080312393-A1 Linear functional copolymers of ethylene with precise and minimum run length distributions and methods of making thereof BAUGH LISA S 2008-12-18 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
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

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

For each of this compound's patents that has machine-readable text (5 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-20230149911-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE HMBS, RRP12, RNF168 GABRA1 3066/4885GABRB2 1560/4885GABRG2 3496/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 GABRA1 3435/4885GABRB2 2368/4885GABRG2 3152/4885
US-11577232-B2 Ruthenium-based metathesis catalysts, precursors for their preparation and their use HMBS, RRP12, RNF168 GABRA1 3066/4885GABRB2 1560/4885GABRG2 3496/4885
US-20240116039-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE HMBS, RRP12, RNF168 GABRA1 3066/4885GABRB2 1560/4885GABRG2 3496/4885
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 GABRA1 74/4885GABRB2 86/4885GABRG2 181/4885

“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.