SCHEMBL843121

SCHEMBL843121

O=C(O)c1cc2ccsc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
CSNK2A2 P19784 7/20 0.42
CSNK2B P67870 7/20 0.42
CSNK2A1 P68400 7/20 0.42
KDM4E B2RXH2 3/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
GPR35 Q9HC97 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
DAO P14920 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39

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
SCHEMBL31230400 1.00 CHRNA7 (0.46) CHRNA7HTR3ACSNK2A2CSNK2BCSNK2A1
SCHEMBL8834576 0.87 CSNK2A2 (0.39) CHRNA7HTR3ACSNK2A2CSNK2BCSNK2A1
SCHEMBL843122 0.86 CHRNA7 (0.47) CHRNA7CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL4856067 0.84 CHRNA7 (0.45) CHRNA7HTR3AKDM4EGPR35CTNNB1
SCHEMBL1207766 0.84 CHRNA7 (0.48) CHRNA7HTR3ACTNNB1WNT3A
Hydrochloric Acid SCHEMBL27687894 0.83 CHRNA7 (0.47) CHRNA7HTR3ACTNNB1WNT3A
Lithium Ion SCHEMBL21632921 0.83 CHRNA7 (0.44) CHRNA7HTR3ACSNK2A2CSNK2BCSNK2A1
Lithium Ion SCHEMBL31230337 0.83 CHRNA7 (0.44) CHRNA7HTR3ACSNK2A2CSNK2BCSNK2A1
SCHEMBL844263 0.80 LCK (0.51) CHRNA7HTR3AKDM4EALDH1A1MAPT
SCHEMBL659466 0.73 GRM4 (0.40) CHRNA7HTR3AKDM4ECTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
CN-101124229-A Novel heterocyclic compounds for the treatment of inflammatory and allergic disorders GLENMARK PHARMACEUTICALS SA (CH) 2008-02-13 CN claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2022-03-24 US disclosed
EP-3827001-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Domain Therapeutics (FR) 2021-06-02 EP disclosed
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 WO disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 WO disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
US-4161599-A Process for the preparation of thieno(2,3-c)- and thieno(3,2-c)pyridines PARCOR (FR) 1979-07-17 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 CHRNA7 1/4885HTR3A 173/4885CSNK2A2 2775/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CHRNA7 1401/4885HTR3A 2224/4885CSNK2A2 2442/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 CHRNA7 1/4885HTR3A 567/4885CSNK2A2 1242/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 CHRNA7 594/4885HTR3A 971/4885CSNK2A2 542/4885
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRIK4, GRM4, GRIA4 CHRNA7 104/4885HTR3A 228/4885CSNK2A2 482/4885

“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.