SCHEMBL4872179

SCHEMBL4872179

C#CCN(CC=C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CA14 Q9ULX7 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8641389 0.86 CA14 (0.36) DPP4RAB9AALDH1A1CA14L3MBTL1
SCHEMBL8641383 0.86 CA14 (0.36) DPP4RAB9AALDH1A1CA14L3MBTL1
SCHEMBL1207293 0.84 CA14 (0.39) CA14HDAC6KCNQ4KCNQ5HDAC1
SCHEMBL956549 0.84 ALDH1A1 (0.42) DPP4ALDH1A1CA14HDAC6HDAC1
SCHEMBL18306605 0.84 DPP4 (0.56) DPP4ALDH1A1CA14HDAC6
SCHEMBL12492869 0.83 DPP4 (0.38) DPP4ALDH1A1SLC6A2SLC6A4CA14
SCHEMBL25166477 0.80 DPP4 (0.35) DPP4
SCHEMBL3178526 0.80 ALDH1A1 (0.38) DPP4ALDH1A1SLC6A2SLC6A4CA14
SCHEMBL3530471 0.80 CA14 (0.36) DPP4SLC6A2SLC6A4CA14HDAC6
SCHEMBL4866631 0.79 DPP4 (0.36) DPP4ALDH1A1CA14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118240486-A Composite repairing and reinforcing material for oil and gas pipeline, preparation method and application 中国石油天然气集团有限公司 2024-06-25 CN claimed
CN-118240486-A Composite repairing and reinforcing material for oil and gas pipeline, preparation method and application 中国石油天然气集团有限公司 2024-06-25 CN disclosed
CN-106068262-B Quinazoline derivant and preparation method thereof and application in medicine HAISCO PHARMACEUTICAL GROUP INC. (CN) 2019-10-29 CN disclosed
US-20190194194-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2019-06-27 US disclosed
US-20190084982-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2019-03-21 US disclosed
EP-2742045-B1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-01-23 EP disclosed
CN-105085530-B Ternary condenses cyclosubstituted amino hexatomic ring analog derivative and its application in medicine 四川海思科制药有限公司 2019-01-04 CN disclosed
US-10155759-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2018-12-18 US disclosed
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2018-04-19 US disclosed
US-9884864-B2 Antibacterial cyclopenta[C]pyrrole substituted 3,4-Dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2018-02-06 US disclosed
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US disclosed
US-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
WO-2005079496-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
WO-2005079519-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
EP-1539733-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2005-06-15 EP disclosed
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ABBVIE INC. 2004-08-05 US disclosed
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES 2004-03-04 US disclosed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 WO disclosed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 EP 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-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, BDKRB1 DPP4 3375/4885RAB9A 1173/4885ALDH1A1 2875/4885
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 DPP4 4015/4885RAB9A 2352/4885ALDH1A1 123/4885
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 DPP4 4015/4885RAB9A 2352/4885ALDH1A1 123/4885
US-20190084982-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP DPP4 529/4885RAB9A 1872/4885ALDH1A1 965/4885
US-20190194194-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP DPP4 529/4885RAB9A 1872/4885ALDH1A1 965/4885
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, CCR10 DPP4 2937/4885RAB9A 1127/4885ALDH1A1 1969/4885
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP DPP4 529/4885RAB9A 1872/4885ALDH1A1 965/4885
US-10155759-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones ECI1, ALPI, PREP DPP4 529/4885RAB9A 1872/4885ALDH1A1 965/4885

“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.