SCHEMBL3689611

SCHEMBL3689611

NC(=S)C(C(=O)O)(c1ccccn1)C1CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
IDO1 P14902 2/20 0.35
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ANO1 Q5XXA6 2/20 0.33
IDH1 O75874 1/20 0.33
PIN1 Q13526 1/20 0.33
ADRA1A P35348 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.32

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
SCHEMBL9505474 0.78 KEAP1 (0.39) TRPM8SMN1; SMN2L3MBTL1
SCHEMBL9503407 0.67 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL9503397 0.67 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1
SCHEMBL9507126 0.66 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL9505436 0.66 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL9503389 0.65 MAPT (0.37) SMN1; SMN2
Pyridine SCHEMBL19209999 0.65 PIN1 (0.49) P2RX7IDO1F2F12TRPM8
SCHEMBL9503387 0.64 SMN1; SMN2 (0.45) TRPM8SMN1; SMN2
SCHEMBL627313 0.64 MEN1 (0.39) P2RX7IDO1F2F12ADRA1A
SCHEMBL7399917 0.64 MTNR1A (0.39) IDO1TRPM8PIN1HTR6

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 P2RX7 1619/4885IDO1 3973/4885F2 1847/4885
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR P2RX7 1056/4885IDO1 3246/4885F2 1652/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR P2RX7 548/4885IDO1 3532/4885F2 1370/4885
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR P2RX7 1199/4885IDO1 1927/4885F2 977/4885
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR P2RX7 461/4885IDO1 3608/4885F2 2383/4885

“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.