SCHEMBL3689608

SCHEMBL3689608

NC(=S)C(C(=O)OC1Cc2ccccc2C1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.40
▸ FABP7 O15540 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL9505466 0.85 CYP19A1 (0.43) FABP7FABP5KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9503261 0.84 CYP19A1 (0.42) FABP7FABP5KDM4EMEN1KMT2A
SCHEMBL9702126 0.75 SMN1; SMN2 (0.57) KDM4EMEN1GAAKMT2ASMN1; SMN2
SCHEMBL1397381 0.74 SLC6A3 (0.45) KDM4EPDE4ALMNATSHRCYP3A4
SCHEMBL9503402 0.74 SMN1; SMN2 (0.41) KDM4EMEN1GAAKMT2ASMN1; SMN2
SCHEMBL9505434 0.73 MEN1 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9507117 0.73 MEN1 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9503372 0.73 SMN1; SMN2 (0.41) KDM4EMEN1GAAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9504445 0.72 MEN1 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9505502 0.72 MEN1 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144613-A1 Combined use of DPP-IV Inhibitors and Gastrin Compounds WARATAH PHARMACEUTICALS, INC. (CA) 2010-06-10 — — US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 — — US disclosed
US-20090054314-A1 Combined use of DPP-IV inhibitors and gastrin compounds WARATAH PHARMACEUTICALS INC. (CA) 2009-02-26 — — US disclosed
EP-1971363-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES Waratah Pharmaceuticals, Inc. (CA) 2008-09-24 — — EP disclosed
EP-1951286-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS Waratah Pharmaceuticals, Inc. (CA) 2008-08-06 — — EP disclosed
WO-2008071010-A1 COMBINATION TREATMENTS WITH SELECTED GROWTH/HORMONE REGULATORY FACTORS FOR DIABETES AND RELATED DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-06-19 — — WO disclosed
WO-2007095737-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES COMPRISING AN EXENDIN AGONIST AND A GASTRIN COMPOUND WARATAH PHARMACEUTICALS INC. (CA) 2007-08-30 — — WO disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 — — US disclosed
WO-2007062531-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES WARATAH PHARMACEUTICALS, INC. (CA) 2007-06-07 — — WO disclosed
WO-2007041833-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 — — WO disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 — — US disclosed
US-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 — — US disclosed
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 — — US disclosed
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 — — US disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 — — WO disclosed
WO-2001090078-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-29 — — WO disclosed
WO-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 — — WO disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 — — WO disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 — — WO disclosed
WO-1993012817-A1 THERAPEUTIC COMBINATIONS USEFUL IN THE TREATMENT OF GASTROESOPHAGEAL REFLUX DISEASE WARNER-LAMBERT COMPANY (US) 1993-07-08 — — 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 (5 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-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) CCKAR, CCKBR, GRPR GRIN2B 465/4885FABP7 1987/4885FABP5 1650/4885
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR GRIN2B 942/4885FABP7 1058/4885FABP5 1781/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR GRIN2B 149/4885FABP7 190/4885FABP5 455/4885
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR GRIN2B 619/4885FABP7 289/4885FABP5 481/4885
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR GRIN2B 488/4885FABP7 2362/4885FABP5 2850/4885

“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.

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