SCHEMBL301716

SCHEMBL301716

CC1=C(C)C(C)(C)C([Ir](Cl)Cl)=C1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.31

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
SCHEMBL16197980 0.74 CTSD (0.31) CTSD
SCHEMBL22978326 0.74 CTSD (0.31) CTSD
SCHEMBL2230540 0.69 CTSD (0.43) CTSD
SCHEMBL3122693 0.69 CTSD (0.32) CTSD
SCHEMBL28961651 0.67 CTSD (0.38) CTSD
Hydrochloric Acid SCHEMBL8060241 0.67 CTSD (0.33) CTSD
SCHEMBL19579927 0.63
SCHEMBL3409042 0.63 CTSD (0.35) CTSD
SCHEMBL4652458 0.63 CTSD (0.35) CTSD
Methylene Chloride SCHEMBL8847111 0.62 CTSD (0.30) CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461681-A Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2021-10-01 CN claimed
US-10710948-B2 Processes for preparing (R)-1-(5-chloro-[1,1″-biphenyl] -2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1″-biphenyl]-2-yl)-2,2,2-trifluoroethanone ROIVANT SCIENCES GMBH (CH) 2020-07-14 US claimed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP claimed
US-20160257633-A1 PROCESSES FOR PREPARING (R)-1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANOL AND 1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANONE ALTAVANT SCIENCES GMBH (CH) 2016-09-08 US claimed
EP-2576563-B1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS (SI) 2016-05-11 EP claimed
EP-2340253-B1 PROCESSES FOR THE SELECTIVE AMINATION OF KETOMORPHINANS MALLINCKRODT LLC (US) 2013-11-13 EP claimed
US-8519133-B2 Preparation of 6-alpha-amino N-substituted morphinans by catalytic hydrogen transfer MALLINCKRODT LLC (US) 2013-08-27 US claimed
US-8471023-B2 Reductive amination of 6-keto normorphinans by catalytic hydrogen transfer MALLINCKRODT LLC (US) 2013-06-25 US claimed
WO-2013075679-A1 A METHOD OF PRODUCING CINACALCET ZENTIVA, K.S. (CZ) 2013-05-30 WO claimed
US-20120316343-A1 Reductive Amination of 6-Keto Morphinans by Catalytic Hydrogen Transfer MALLINCKRODT LLC (US) 2012-12-13 US claimed
EP-2152715-B1 IMPROVED PROCESS FOR THE PREPARATION OF 6-ALPHA-HYDROXY-N-ALKYLATED OPIATES MALLINCKRODT INC (US) 2010-12-29 EP claimed
US-20100317683-A1 Preparation of 6-Alpha-Amino N-Substituted Morphinans by Catalytic Hydrogen Transfer MALLINCKRODT INC. (US) 2010-12-16 US claimed
EP-4463230-A1 HALF-SANDWICH TRANSITION METAL COMPLEXES AND USES THEREOF Debreceni Egyetem (HU) 2024-11-20 EP disclosed
WO-2023041947-A1 HALF-SANDWICH TRANSITION METAL COMPLEXES AND USES THEREOF DEBRECENI EGYETEM (HU) 2023-03-23 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20210309687-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 US disclosed
US-20110071300-A1 One-Pot Preparation of Hexahydroisoquinolines from Dihydroisoquinolines MALLINCKRODT INC. (US) 2011-03-24 US disclosed
US-20100317683-A1 Preparation of 6-Alpha-Amino N-Substituted Morphinans by Catalytic Hydrogen Transfer MALLINCKRODT INC. (US) 2010-12-16 US disclosed
US-20100317861-A1 Remove Amination of 6-Keto Normorphinans by Catalytic Hydrogen Transfer MALLINCKRODT INC. (US) 2010-12-16 US disclosed
US-20100034733-A1 CATALYST FOR DECOMPOSITION OF FORMIC ACID, METHOD FOR DECOMPOSING FORMIC ACID, PROCESS FOR PRODUCING HYDROGEN, APPARATUS FOR PRODUCING AND DECOMPOSING FORMIC ACID, AND METHOD FOR STORING AND GENERATING HYDROGEN OSAKA UNIVERSITY (JP) 2010-02-11 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 (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-20120316343-A1 Reductive Amination of 6-Keto Morphinans by Catalytic Hydrogen Transfer AADAT, KMO, KHK CTSD 2474/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CTSD 4590/4885
US-20100034733-A1 CATALYST FOR DECOMPOSITION OF FORMIC ACID, METHOD FOR DECOMPOSING FORMIC ACID, PROCESS FOR PRODUCING HYDROGEN, APPARATUS FOR PRODUCING AND DECOMPOSING FORMIC ACID, AND METHOD FOR STORING AND GENERATING HYDROGEN H1-0, HRH3, H1-4 CTSD 803/4885
US-20100317683-A1 Preparation of 6-Alpha-Amino N-Substituted Morphinans by Catalytic Hydrogen Transfer AADAT, GFPT1, ASNS CTSD 2099/4885
US-20100317861-A1 Remove Amination of 6-Keto Normorphinans by Catalytic Hydrogen Transfer OPRK1, AADAT, OPRD1 CTSD 1432/4885
US-10710948-B2 Processes for preparing (R)-1-(5-chloro-[1,1″-biphenyl] -2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1″-biphenyl]-2-yl)-2,2,2-trifluoroethanone TPH1, TPH2, HTR1A CTSD 2712/4885
US-20160257633-A1 PROCESSES FOR PREPARING (R)-1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANOL AND 1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANONE TPH1, TPH2, HTR1A CTSD 2752/4885
US-20210309687-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 CTSD 4826/4885
US-20110071300-A1 One-Pot Preparation of Hexahydroisoquinolines from Dihydroisoquinolines QDPR, QTRT1, DHPS CTSD 3196/4885

“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.