SCHEMBL4058865

SCHEMBL4058865

O=C(O)N1C[C@H]2C[C@@H]1CN2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.65
CHRNA4 P43681 13/20 0.65
CHRNA3 P32297 4/20 0.65
CHRNB3 Q05901 1/20 0.65
CHRNA6 Q15825 1/20 0.65
CHRNB4 P30926 3/20 0.37
CHRNA7 P36544 3/20 0.37

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
SCHEMBL900113 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL335652 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2123406 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6339022 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL23410453 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL13518560 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL16212072 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356559 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1008776 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13050975 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358949-B2 Carbamate and urea compounds as multikinase inhibitors ANGEX PHARMACEUTICAL, INC. (US) 2022-06-14 US claimed
US-20210163445-A1 CARBAMATE AND UREA COMPOUNDS AS MULTIKINASE INHIBITORS ANGEX PHARMACEUTICAL, INC. 2021-06-03 US claimed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 WO disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 US disclosed
US-20240174641-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-05-30 US disclosed
US-20240158374-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2024-05-16 US disclosed
WO-2024094171-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2024-05-10 WO disclosed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 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 (12 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CHRNB2 4631/4885CHRNA4 4823/4885CHRNA3 4753/4885
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 CHRNB2 1302/4885CHRNA4 244/4885CHRNA3 582/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 CHRNB2 7/4885CHRNA4 9/4885CHRNA3 8/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B CHRNB2 28/4885CHRNA4 12/4885CHRNA3 30/4885
US-20240158374-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ CHRNB2 1575/4885CHRNA4 1820/4885CHRNA3 1402/4885
US-11358949-B2 Carbamate and urea compounds as multikinase inhibitors UCK2, ULK2, CDK9 CHRNB2 4796/4885CHRNA4 4781/4885CHRNA3 4655/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 CHRNB2 4631/4885CHRNA4 4823/4885CHRNA3 4753/4885
US-20240174641-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING STING1, CGAS, IRF3 CHRNB2 3323/4885CHRNA4 3779/4885CHRNA3 3938/4885
US-20210163445-A1 CARBAMATE AND UREA COMPOUNDS AS MULTIKINASE INHIBITORS UCK2, ULK2, CDK9 CHRNB2 4796/4885CHRNA4 4781/4885CHRNA3 4655/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB2 29/4885CHRNA4 14/4885CHRNA3 23/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 CHRNB2 2827/4885CHRNA4 3154/4885CHRNA3 3180/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CHRNB2 4631/4885CHRNA4 4823/4885CHRNA3 4753/4885

“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.