SCHEMBL195947

SCHEMBL195947

C=CC(C#N)[CH]CCCC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS1 P23219 1/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 1/20 0.31
ABCG2 Q9UNQ0 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
SCHEMBL16287785 0.69
SCHEMBL27803950 0.68
SCHEMBL3045930 0.67
SCHEMBL196197 0.67
SCHEMBL5847747 0.67
SCHEMBL16288370 0.67 TSHR (0.46) TSHRALDH1A1PTGS1PPARGOPRK1
SCHEMBL2528376 0.67 TSHR (0.41) TSHRALDH1A1
SCHEMBL83588 0.64 TSHR (0.42) TSHRALDH1A1PTGS1PPARGOPRK1
Water SCHEMBL23068095 0.63
SCHEMBL4620266 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373493-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-29 EP disclosed
EP-4370123-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2024086296-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K MEKANISTIC THERAPEUTICS LLC (US) 2024-04-25 WO disclosed
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2024-03-05 US disclosed
US-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US disclosed
WO-2024028604-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO disclosed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 TSHR 134/4885ALDH1A1 2686/4885PTGS1 1030/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 TSHR 3897/4885ALDH1A1 599/4885PTGS1 901/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 TSHR 3706/4885ALDH1A1 2154/4885PTGS1 1055/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885PTGS1 1818/4885
US-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 TSHR 2060/4885ALDH1A1 2670/4885PTGS1 2467/4885
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK TSHR 4040/4885ALDH1A1 4160/4885PTGS1 3656/4885
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same SLC5A2, PPARD, DPP4 TSHR 421/4885ALDH1A1 1258/4885PTGS1 2731/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A TSHR 2201/4885ALDH1A1 1941/4885PTGS1 4451/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885ALDH1A1 2356/4885PTGS1 950/4885

“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.