SCHEMBL1462969

SCHEMBL1462969

Cc1ccc(C(C)C)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.39
▸ TRPA1 O75762 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.36
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CA1 P00915 1/20 0.32

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
SCHEMBL29723099 1.00 LMNA (0.39) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612243 0.98 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612249 0.98 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL1156717 0.98 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL27317473 0.87 GABRA1 (0.42) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL2738303 0.83 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL13202844 0.83 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL7877780 0.82 CYP3A4 (0.40) LMNAGPR55CYP3A4HTT
SCHEMBL12061470 0.81 PDE2A (0.40) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL12061474 0.81 CYP3A4 (0.52) LMNASLC6A2HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018158674-A1 ASYMMETRIC SYNTHESIS OF (S)-3-(1-(DIMETHYLAMINO) ETHYL) PHENYLETHYL(METHYL)CARBAMATE AND ITS SALTS TROY LIFE SCIENCES (IN) 2018-09-07 — — WO claimed
US-8921561-B2 One-pot preparation of hexahydroisoquinolines from amides MALLINCKRODT LLC (US) 2014-12-30 — — US claimed
US-20130137874-A1 One-Pot Preparation of Hexahydroisoquinolines from Amides MALLINCKRODT LLC (US) 2013-05-30 — — US claimed
US-8431705-B2 One-pot preparation of hexahydroisoquinolines from amides MALLINCKRODT LLC (US) 2013-04-30 — — US claimed
WO-2012096824-A1 PHENYLGLYOXYLIC ACID DERIVATIVES AND THEIR PREPARATION AND USE TRANSTECH PHARMA, INC. (US) 2012-07-19 — — WO claimed
WO-2011038172-A1 ONE-POT PREPARATION OF HEXAHYDROISOQUINOLINES FROM DIHYDROISOQUINOLINES MALLINCKRODT INC. (US) 2011-03-31 — — WO claimed
WO-2011038169-A2 ONE-POT PREPARATION OF HEXAHYDROISOQUINOLINES FROM AMIDES MALLINCKRODT INC. (US) 2011-03-31 — — WO claimed
US-20110071299-A1 One-Pot Preparation of Hexahydroisoquinolines from Amides MALLINCKRODT INC. (US) 2011-03-24 — — US claimed
US-20110071300-A1 One-Pot Preparation of Hexahydroisoquinolines from Dihydroisoquinolines MALLINCKRODT INC. (US) 2011-03-24 — — US claimed
US-20240059710-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-02-22 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230081426-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-03-16 — — US disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 — — US disclosed
WO-2018158674-A1 ASYMMETRIC SYNTHESIS OF (S)-3-(1-(DIMETHYLAMINO) ETHYL) PHENYLETHYL(METHYL)CARBAMATE AND ITS SALTS TROY LIFE SCIENCES (IN) 2018-09-07 — — WO disclosed
EP-1734034-A2 Carboxylic acid salts of beta-alanine esters or -amides Warner-Lambert Company LLC (US) 2006-12-20 — — EP disclosed
EP-1728785-A1 7-[(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-heptanoic acid ester 3,5-dioxo-acetal Warner-Lambert Company LLC (US) 2006-12-06 — — EP disclosed
EP-1724256-A2 Novel process for the synthesis of 5-(4-fluorphenyl)-1-2(2-((2r,4r)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl)-2-isopropyl-4-phenyl-1h-pyrrole-3-carboxylic acid phenylamide Warner-Lambert Company LLC (US) 2006-11-22 — — EP disclosed
US-20050239869-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1eta-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD E 2005-10-27 — — US disclosed
US-20020133026-A1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE BUTLER DONALD EUGENE (US) 2002-09-19 — — US disclosed
EP-0257866-B1 PROCESS FOR PRODUCING 2,5-DICHLOROTOLUENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 — — EP 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 (9 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-20240059710-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS LMNA 3252/4885TRPA1 4830/4885SLC6A2 4876/4885
US-20110071299-A1 One-Pot Preparation of Hexahydroisoquinolines from Amides QARS1, QTRT1, SFPQ LMNA 3515/4885TRPA1 3964/4885SLC6A2 2058/4885
US-20230081426-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR KRAS, NRAS, HRAS LMNA 2429/4885TRPA1 3709/4885SLC6A2 2430/4885
US-20050239869-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1eta-pyrrole-3-carboxylic acid phenylamide PAH, PCCA, HPD LMNA 2962/4885TRPA1 4023/4885SLC6A2 2404/4885
US-20020133026-A1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE PCCA, PAH, HPD LMNA 3504/4885TRPA1 4171/4885SLC6A2 3205/4885
US-20130137874-A1 One-Pot Preparation of Hexahydroisoquinolines from Amides QARS1, QTRT1, SFPQ LMNA 3515/4885TRPA1 3964/4885SLC6A2 2058/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 LMNA 4444/4885TRPA1 535/4885SLC6A2 799/4885
US-20110071300-A1 One-Pot Preparation of Hexahydroisoquinolines from Dihydroisoquinolines QDPR, QTRT1, DHPS LMNA 3491/4885TRPA1 3994/4885SLC6A2 1677/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS LMNA 2462/4885TRPA1 4074/4885SLC6A2 4881/4885

“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.

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