SCHEMBL2294201

SCHEMBL2294201

B.CC(C)CCSCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
GBA1 P04062 1/20 0.38
ROCK2 O75116 1/20 0.34
BHMT Q93088 2/20 0.33
BHMT2 Q9H2M3 1/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL1114588 0.96 CTSL (0.42) CTSLCTSBGBA1ROCK2BHMT
SCHEMBL12790596 0.93 CTSL (0.40) CTSLCTSBGBA1ROCK2BHMT
SCHEMBL12353650 0.84 LMNA (0.41) CTSLCTSBGBA1ROCK2BHMT
SCHEMBL1705186 0.84
SCHEMBL8991438 0.84
SCHEMBL7964479 0.82
SCHEMBL1402574 0.82
SCHEMBL12396066 0.82 CTSL (0.34) CTSLCTSBGBA1ROCK2BHMT
SCHEMBL22338482 0.82
SCHEMBL19300210 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854923-A Boron-containing tackifier for silicone rubber and preparation method and application thereof 中国科学院化学研究所 2023-10-10 CN claimed
EP-1899317-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE Teva Pharmaceutical Industries Ltd (IL) 2008-03-19 EP claimed
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US claimed
WO-2007123900-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-01 WO claimed
US-20060069263-A1 Process for the reduction of (S)-2-amino-6-propionamido-4,5,6,7-tetrahydrobenzo-thiazole CHEMAGIS LTD. (IL) 2006-03-30 US claimed
US-5567849-A Borane-sulfide hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-10-22 US claimed
CN-116855223-A High-bonding-strength organic silicon bonding sealant and preparation method and application thereof 中国科学院化学研究所 2023-10-10 CN disclosed
CN-116854923-A Boron-containing tackifier for silicone rubber and preparation method and application thereof 中国科学院化学研究所 2023-10-10 CN disclosed
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-18 US disclosed
US-10736966-B2 Brush-poly (glycoamidoamine)-lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-08-11 US disclosed
US-20180265475-A1 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-09-20 US disclosed
US-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
EP-3164379-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF Massachusetts Institute of Technology (US) 2017-05-10 EP disclosed
WO-2007123900-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-01 WO disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed
WO-2006116007-A2 METHODS FOR SYNTHESIS OF DICARBAMATE COMPOUNDS AND INTERMEDIATES IN THE FORMATION THEREOF MEDPOINTE HEALTHCARE INC. (US) 2006-11-02 WO disclosed
US-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof MEDPOINTE HEALTHCARE INC. 2006-10-26 US disclosed
US-20060069263-A1 Process for the reduction of (S)-2-amino-6-propionamido-4,5,6,7-tetrahydrobenzo-thiazole CHEMAGIS LTD. (IL) 2006-03-30 US disclosed
US-6204405-B1 REACTING TRI-O-PHENYLENE BIS BORATE WITH DIBORANE SIGMA-ALDRICH CO. 2001-03-20 US disclosed
US-5567849-A Borane-sulfide hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-10-22 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 (6 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-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine HTR3A, PNMT, TPH1 CTSL 2748/4885CTSB 2362/4885GBA1 683/4885
US-10736966-B2 Brush-poly (glycoamidoamine)-lipids and uses thereof GLUL, GLS, FPGS CTSL 153/4885CTSB 1297/4885GBA1 45/4885
US-20060069263-A1 Process for the reduction of (S)-2-amino-6-propionamido-4,5,6,7-tetrahydrobenzo-thiazole TST, ABAT, TH CTSL 1908/4885CTSB 3346/4885GBA1 830/4885
US-20180265475-A1 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS NDUFS5, NDUFS7, NDUFS3 CTSL 1545/4885CTSB 1073/4885GBA1 1348/4885
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents NDUFS5, NDUFS7, NDUFS3 CTSL 1545/4885CTSB 1073/4885GBA1 1348/4885
US-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof CPS1, ME1, TALDO1 CTSL 1431/4885CTSB 378/4885GBA1 845/4885

“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.