SCHEMBL3361367

SCHEMBL3361367

Brc1cncc(N2CCCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.74
CHRNA4 P43681 16/20 0.74
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
CHRNA1 P02708 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHKA P35790 1/20 0.42

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
SCHEMBL30665760 1.00 CHRNB2 (0.74) CHRNB2CHRNA4MEN1NPC1TP53
SCHEMBL1980777 0.98 CHRNB2 (0.77) CHRNB2CHRNA4MEN1NPC1TP53
SCHEMBL30665753 0.94 CHRNB2 (0.77) CHRNB2CHRNA4MEN1NPC1TP53
SCHEMBL2067959 0.94 CHRNB2 (0.77) CHRNB2CHRNA4MEN1NPC1TP53
SCHEMBL5654646 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3067510 0.83 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30066253 0.81 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3707068 0.81 CHRNB2 (0.60) CHRNB2CHRNA4MEN1NPC1TP53
SCHEMBL2257074 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3067811 0.81 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069650-A Alkynyl compound, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-17 CN disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
WO-2018075858-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2018-04-26 WO disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
US-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins AC IMMUNE, S.A. (CH) 2011-10-20 US disclosed
EP-0739342-B1 PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS MERCK & CO INC (US) 2003-08-27 EP disclosed
US-5723477-A CENTRAL NERVOUS SYSTEM OR AUTONOMIC NERVOUS SYSTEM, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS OR DRUG ABUSE SIBIA NEUROSCIENCES, INC. (US) 1998-03-03 US disclosed
US-5705512-A COGNITION ACTIVATORS USING PYRROLIDINE PYRIDINE SIBIA NEUROSCIENCES, INC. (US) 1998-01-06 US disclosed
US-5703100-A PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS SIBIA NEUROSCIENCES, INC. (US) 1997-12-30 US disclosed
US-5677459-A PYRIDINE COMPOUNDS SIBIA NEUROSCIENCES, INC. (US) 1997-10-14 US disclosed
US-5594011-A Modulators of acetylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1997-01-14 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 (1 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-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins APP, PSEN1, PSEN2 CHRNB2 113/4885CHRNA4 425/4885MEN1 3013/4885

“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.