SCHEMBL74595

SCHEMBL74595

COc1ccccc1CC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.63
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 4/20 0.52
CHRM1 P11229 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 0.46

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
SCHEMBL20583752 0.85 IDO1 (0.52) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL3480016 0.84 RIPK1 (0.78) RIPK1
SCHEMBL20782032 0.84 RIPK1 (0.47) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL3640937 0.83 IDO1 (0.55) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL10725568 0.83 IDO1 (0.50) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL808941 0.83 IDO1 (0.50) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL2951310 0.83 IDO1 (0.50) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL20428030 0.83 IDO1 (0.50) RIPK1IDO1TAAR1CHRM2CHRM1
SCHEMBL17750072 0.83 IDO1 (0.50) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL10190891 0.82 RIPK1 (0.49) RIPK1CA1CA2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-24 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO disclosed
US-4288638-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1981-09-08 US disclosed
US-4236029-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1980-11-25 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 (11 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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 RIPK1 1913/4885IDO1 3923/4885TAAR1 4670/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 RIPK1 214/4885IDO1 3700/4885TAAR1 3699/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 RIPK1 1419/4885IDO1 2630/4885TAAR1 3692/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 RIPK1 486/4885IDO1 1979/4885TAAR1 4194/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK RIPK1 3349/4885IDO1 627/4885TAAR1 2374/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT RIPK1 1215/4885IDO1 3280/4885TAAR1 4669/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 RIPK1 581/4885IDO1 3799/4885TAAR1 3127/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR RIPK1 2459/4885IDO1 3963/4885TAAR1 643/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS RIPK1 354/4885IDO1 4746/4885TAAR1 4425/4885
US-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS PNMT, HTR2C, HTR2A RIPK1 4870/4885IDO1 813/4885TAAR1 66/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 RIPK1 1387/4885IDO1 2050/4885TAAR1 188/4885

“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.