SCHEMBL6539776

SCHEMBL6539776

CCCN(CCC)C(=O)CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 4/20 0.42
TP53 P04637 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MLYCD O95822 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL96264 0.90 CA12 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL3428767 0.89 ALDH1A1 (0.45) ALDH1A1HPGDCA12CA9CA2
SCHEMBL3428766 0.87 ALDH1A1 (0.44) ALDH1A1HPGDCA12CA9CA2
SCHEMBL542744 0.84 CA12 (0.54) ALDH1A1HPGDCA12CA9CA2
SCHEMBL14023314 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL9432852 0.82 CA12 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8002985 0.80 CA12 (0.48) ALDH1A1CA12CA9CA2CA1
SCHEMBL5543867 0.80 CA12 (0.48) ALDH1A1CA12CA9CA2CA1
SCHEMBL10352190 0.80 CA12 (0.48) ALDH1A1CA12CA9CA2CA1
SCHEMBL22907476 0.80 CA12 (0.48) ALDH1A1CA12CA9CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137468-B1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2021-10-06 EP disclosed
US-10844068-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2020-11-24 US disclosed
US-20190345166-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-11-14 US disclosed
US-10407431-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2019-09-10 US disclosed
US-20180186802-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2018-07-05 US disclosed
US-9944649-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-04-17 US disclosed
EP-3137468-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS Novartis AG (CH) 2017-03-08 EP disclosed
US-20170044168-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2017-02-16 US disclosed
EP-2242359-B1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIV STRASBOURG (FR) 2016-06-01 EP disclosed
WO-2015168279-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2015-11-05 WO disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0118743-B1 CURABLE COMPOSITIONS CONTAINING URETHANES,AND THE USE OF THE COMPOSITIONS IN ELECTRODEPOSITION PPG INDUSTRIES, INC. (US) 1987-06-16 EP disclosed
EP-0118743-A1 Curable compositions containing urethanes,and the use of the compositions in electrodeposition PPG INDUSTRIES, INC. (US) 1984-09-19 EP disclosed
US-4452963-A CATIONIC POLYMER COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1984-06-05 US disclosed
US-4452930-A FOR LOW TEMPERATURE CURING OF CATIONIC POLYMERS PPG INDUSTRIES, INC. (US) 1984-06-05 US disclosed
US-4452681-A LOW TEMPERATURE CURING OF WATER-DISPERSED CATIONIC POLYMERS PPG INDUSTRIES, INC. (US) 1984-06-05 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-10407431-B2 Compounds and compositions as toll-like receptor 7 agonists TLR7, TLR3, TLR1 ALDH1A1 3512/4885HPGD 1739/4885CA12 3977/4885
US-20180186802-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 ALDH1A1 3512/4885HPGD 1739/4885CA12 3977/4885
US-10844068-B2 Compounds and compositions as toll-like receptor 7 agonists TLR7, TLR3, TLR1 ALDH1A1 3512/4885HPGD 1739/4885CA12 3977/4885
US-20190345166-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 ALDH1A1 3512/4885HPGD 1739/4885CA12 3977/4885
US-20170044168-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 ALDH1A1 4263/4885HPGD 2381/4885CA12 4262/4885

“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.