SCHEMBL650801

SCHEMBL650801

Cc1cc(N2C[C@H]3CCN[C@H]3C2)cnc1Cl

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.76
CHRNA4 P43681 18/20 0.76
CHRNB4 P30926 17/20 0.76
CHRNA3 P32297 17/20 0.76

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
SCHEMBL649878 1.00 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1526888 1.00 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL651976 0.99 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL652378 0.99 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652757 0.92 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27594104 0.92 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652756 0.92 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652719 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652720 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652718 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024018395-A1 METHODS AND INTERMEDIATES FOR PREPARING 2-[(4-{6-[(4-CYANO-2-FLUOROBENZYL)OXY]PYRIDIN-2-YL}PIPERIDIN-1-YL)METHYL]-1-[(2S)-OXETAN-2-YLMETHYL]-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, 1,3-DIHYDROXY-2-(HYDROXYMETHYL)PROPAN-2-AMINE SALT PFIZER INC. (US) 2024-01-25 WO claimed
EP-3454898-B1 DRUG COMBINATIONS FOR REDUCING CELL VIABILITY AND/OR CELL PROLIFERATION EISAI R&D MAN CO LTD (JP) 2021-11-10 EP claimed
EP-3255031-B1 COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF BEIJING PEKING UNIV WBL BIOTECH CO LTD (CN) 2021-09-29 EP claimed
US-10099998-B2 Compound, and separation method, synthesis method and use thereof BEIJING PEKING UNIVERSITY WBL BIOTECH CO., LTD. (CN) 2018-10-16 US claimed
US-20180022688-A1 COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF BEIJING PEKING UNIVERSITY WBL BIOTECH CO., LTD. (CN) 2018-01-25 US claimed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP claimed
EP-2400033-B1 Method for determining sensitivity of tumor cells to tyrosine kinase inhibitor and computer program product SYSMEX CORP (JP) 2013-02-20 EP claimed
EP-2111401-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-02-16 EP claimed
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 claimed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US claimed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP claimed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US claimed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
EP-4329826-A1 DEUTERATED COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2024-03-06 EP disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
EP-1147112-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2001-10-24 EP disclosed
WO-2000044755-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 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 (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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 CHRNB2 2449/4885CHRNA4 2283/4885CHRNB4 1971/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885
US-20180022688-A1 COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF HMGCR, COASY, DHCR7 CHRNB2 4516/4885CHRNA4 4632/4885CHRNB4 4525/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885
US-10099998-B2 Compound, and separation method, synthesis method and use thereof HMGCR, COASY, DHCR7 CHRNB2 4516/4885CHRNA4 4632/4885CHRNB4 4525/4885

“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.