SCHEMBL6674571

SCHEMBL6674571

CCN(C)Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 1.00
CHRNA4 P43681 3/20 1.00
CHRNA7 P36544 1/20 0.56
ALDH1A1 P00352 2/20 0.54
RIPK1 Q13546 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL31044635 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL10028665 0.92 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL30093157 0.88 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL16627431 0.87 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL22928701 0.86 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL21278464 0.85 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL8348697 0.85 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL6132943 0.85 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL10509238 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1
SCHEMBL12197592 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7ALDH1A1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-11358985-B2 Tripeptide compound, preparation method therefor, and application thereof NORTHWEST UNIVERSITY (CN) 2022-06-14 US disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 US disclosed
US-20170233734-A1 NUCLEIC ACID LIPID PARTICLE FORMULATIONS ALNYLAM PHARMACEUTICALS INC (US) 2017-08-17 US disclosed
US-9708305-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives for the treatment of hormone-dependent diseases UNIVERSITé LAVAL (CA) 2017-07-18 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
WO-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008106226-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
EP-1456206-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 EP disclosed
WO-2003053970-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 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 (8 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-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC CHRNB2 4851/4885CHRNA4 4785/4885CHRNA7 4560/4885
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CHRNB2 336/4885CHRNA4 230/4885CHRNA7 238/4885
US-11358985-B2 Tripeptide compound, preparation method therefor, and application thereof VIP, PREP, ACE CHRNB2 4354/4885CHRNA4 4638/4885CHRNA7 4408/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP CHRNB2 4807/4885CHRNA4 4750/4885CHRNA7 4537/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 CHRNB2 645/4885CHRNA4 434/4885CHRNA7 486/4885
US-20170233734-A1 NUCLEIC ACID LIPID PARTICLE FORMULATIONS LIPA, ABHD16A, CETP CHRNB2 4737/4885CHRNA4 4719/4885CHRNA7 4507/4885
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE CHRNB2 4354/4885CHRNA4 4638/4885CHRNA7 4408/4885
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CHRNB2 2779/4885CHRNA4 2092/4885CHRNA7 1222/4885

“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.