SCHEMBL4902669

SCHEMBL4902669

CC[N+]12CCC(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHKA P35790 1/20 0.32

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
Hydrochloric Acid SCHEMBL11238723 0.97 CHRNA7 (0.43) CHRNA7BCHEACHELMNATHRB
SCHEMBL13146092 0.82
SCHEMBL4906320 0.77 CHRNA7 (0.41) CHRNA7BCHEACHELMNACHKA
SCHEMBL4893867 0.73 APOBEC3A (0.39) CHRNA7
SCHEMBL4903990 0.69 CHRNA7 (0.38) CHRNA7BCHEACHECHKA
SCHEMBL1666073 0.67 CHRNA7 (0.36) CHRNA7BCHEACHECHKA
SCHEMBL12036494 0.67 CHRNA7 (0.36) CHRNA7BCHEACHECHKA
SCHEMBL4896775 0.66 KDM4E (0.40) CHRNA7CHKA
Water SCHEMBL8053367 0.65 CHRNA7 (0.35) CHRNA7BCHEACHECHKA
SCHEMBL15434687 0.65 CHRNA7 (0.35) CHRNA7BCHEACHECHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN claimed
WO-2023250323-A1 GPR119 AND GPR40 AGONIST COMBINATION THERAPIES FOR GUT-BRAIN AXIS DISORDERS KALLYOPE, INC. (US) 2023-12-28 WO disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3357926-A1 TRANSDERMAL DELIVERY SYSTEMS OF BETA-LACTAM ANTIBIOTICS Yu, Chongxi (US) 2018-08-08 EP disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-8183273-B2 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide; HIV infectious diseases, chronic rheumatoid arthritis, autoimmune disease, allergic diseases, ischemic brain cell disease TOBIRA THERAPEUTICS, INC. (US) 2012-05-22 US disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
US-20080249147-A1 Emulsion-Stabilized Preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 US disclosed
US-20080234343-A1 Preparation with Elevated Content TAKEDA PHARMACEUTICAL COMPANY (JP) 2008-09-25 US disclosed
US-7410958-B2 Triterpene quaternary salts as biologically active surfactants REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-12 US disclosed
US-20080161287-A1 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2008-07-03 US disclosed
US-7371772-B2 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-13 US disclosed
US-20080031942-A1 Solid Preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS KRASUTSKY PAVEL A 2007-04-19 US disclosed
US-7199114-B2 Triterpene quaternary salts as biologically active surfactants THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-03 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-20080249147-A1 Emulsion-Stabilized Preparation LIPA, MGLL, SI CHRNA7 3798/4885BCHE 3404/4885ACHE 2866/4885
US-20080234343-A1 Preparation with Elevated Content SI, CEL, ABCB11 CHRNA7 3235/4885BCHE 433/4885ACHE 259/4885
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB CHRNA7 2494/4885BCHE 545/4885ACHE 2340/4885
US-20080031942-A1 Solid Preparation PGA5, ABCG2, ACMSD CHRNA7 3816/4885BCHE 3802/4885ACHE 3260/4885
US-20080161287-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 CHRNA7 232/4885BCHE 1435/4885ACHE 2248/4885

“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.