SCHEMBL4748781

SCHEMBL4748781

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nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.60
CACNA2D1 P54289 2/20 0.52
CACNB3 P54284 1/20 0.52
CACNA1C Q13936 1/20 0.52
PGR P06401 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
CACNA2D2 Q9NY47 1/20 0.52
GABRR1 P24046 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
GPR84 Q9NQS5 4/20 0.45
RNPEP Q9H4A4 1/20 0.42
SLC7A5 Q01650 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MME P08473 2/20 0.40

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
SCHEMBL667024 1.00 SLC22A6 (0.60) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL13701365 0.95 SLC22A6 (0.55) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL8292735 0.84 SLC22A6 (0.60) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL976030 0.84 SLC22A6 (0.60) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL976447 0.84 SLC22A6 (0.60) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL6453593 0.83 SLC22A6 (0.75) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL12327762 0.81 SLC22A6 (0.50) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL12722973 0.81 SLC22A6 (0.50) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL13800587 0.81 SLC22A6 (0.50) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL16600216 0.80 SLC22A6 (0.55) SLC22A6CACNA2D1CACNB3CACNA1CPGR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP claimed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US claimed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP claimed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO claimed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO disclosed
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP disclosed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US disclosed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP disclosed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO disclosed
EP-0387196-B1 Complexes with optically active ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1995-05-03 EP disclosed
US-5047557-A Complexes having optically active ligands, a process for their preparation and their use CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
EP-0387196-A1 Complexes with optically active ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-09-12 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 (1 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 SLC22A6 1327/4885CACNA2D1 3895/4885CACNB3 2520/4885

“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.