SCHEMBL764171

SCHEMBL764171

COCOc1cnccc1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOA P21397 2/20 0.31
XDH P47989 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL5699994 0.81 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL15858729 0.79 CHRNB4 (0.50) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL15596168 0.79 CHRNB2 (0.47) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL29695125 0.78
SCHEMBL16707775 0.78
SCHEMBL6640028 0.78 CA12 (0.39) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL4959255 0.78 PTGS1 (0.36) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL14159678 0.76 CA12 (0.49) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL27512092 0.75 CYP11B1 (0.33) CHRNB4CHRNA3CA12CA1CA2
SCHEMBL31139331 0.75 CYP11B1 (0.41) CHRNB4CHRNA3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
EP-0842178-B1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-03-28 EP disclosed
EP-0973777-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-01-26 EP disclosed
US-6001849-A Furopyridine, thienopyridine pyrrolopyridine useful in controlling chemical synaptic transmission ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
WO-1998046609-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
EP-0842178-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-05-20 EP disclosed
WO-1997005139-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-02-13 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 (6 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CHRNB4 1433/4885CHRNA3 972/4885CA12 346/4885
US-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 CHRNB4 4541/4885CHRNA3 3674/4885CA12 256/4885
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR CHRNB4 2333/4885CHRNA3 1352/4885CA12 4735/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CHRNB4 1433/4885CHRNA3 972/4885CA12 346/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CHRNB4 2528/4885CHRNA3 1402/4885CA12 4616/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CHRNB4 2333/4885CHRNA3 1352/4885CA12 4735/4885

“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.