SCHEMBL2239614

SCHEMBL2239614

O=C1CCN(C(=O)O)CC1c1ccc[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.37
GAA P10253 3/20 0.34
FAAH O00519 1/20 0.34
DAO P14920 1/20 0.33
CALCRL Q16602 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMYD3 Q9H7B4 2/20 0.32
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
KIF11 P52732 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
SCHEMBL556469 0.69 ESR1 (0.37) ALDH1A1MAPTKMT2AKIF11
SCHEMBL3885846 0.69 RAB9A (0.39) GAAALDH1A1MAPT
SCHEMBL30527736 0.68 MCL1 (0.36) NAPRTGAADAOALDH1A1LMNA
SCHEMBL26130361 0.64 HTT (0.45) GAAKDM4EALDH1A1TSHRKMT2A
SCHEMBL938488 0.64
SCHEMBL16291596 0.63 KDM4C (0.37) KDM4E
SCHEMBL15352654 0.63 TACR3 (0.43) GAAFAAHKDM4EALDH1A1L3MBTL1
SCHEMBL9052963 0.63 TACR3 (0.43) GAAFAAHKDM4EALDH1A1L3MBTL1
SCHEMBL23144137 0.62
SCHEMBL21724773 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
EP-2170879-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS AstraZeneca AB (SE) 2010-04-07 EP disclosed
CN-101687864-A 1-cyanocyclopropyl-derivatives as cathepsin K inhibitors ASTRAZENECA AB 2010-03-31 CN disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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 (1 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB NAPRT 4021/4885GAA 51/4885FAAH 314/4885

“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.