SCHEMBL3580101

SCHEMBL3580101

O=C(O)N1CC[C@@H]2[C@H]1CN2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL30064999 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22208222 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555109 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555142 0.85 PDK1 (0.47) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555075 0.85 PDK1 (0.47) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL651151 0.82 STS (0.47) KMT2A
SCHEMBL30071078 0.82 STS (0.47) KMT2A
SCHEMBL929751 0.82 STS (0.47) KMT2A
SCHEMBL29889592 0.79 ABL1 (0.46) OPRK1
SCHEMBL27816784 0.78 BCHE (0.49) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 US disclosed
EP-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 US disclosed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 US disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
EP-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US 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 (10 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 OPRM1 190/4885OPRK1 219/4885MEN1 567/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 OPRM1 190/4885OPRK1 219/4885MEN1 567/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS OPRM1 4750/4885OPRK1 4740/4885MEN1 348/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 OPRM1 166/4885OPRK1 192/4885MEN1 428/4885
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS OPRM1 1986/4885OPRK1 1798/4885MEN1 1106/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 OPRM1 190/4885OPRK1 219/4885MEN1 567/4885
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents GRIN3A, GAP43, GRIN3B OPRM1 89/4885OPRK1 86/4885MEN1 332/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS OPRM1 4750/4885OPRK1 4740/4885MEN1 348/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 OPRM1 166/4885OPRK1 192/4885MEN1 428/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B OPRM1 89/4885OPRK1 86/4885MEN1 332/4885

“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.