SCHEMBL3756652

SCHEMBL3756652

O=C(NC1CC1)C1CCN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
EPHX2 P34913 8/20 0.50
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL28586012 1.00 MAPK1 (0.53) MAPK1EPHX2TDP1LMNAALDH1A1
SCHEMBL4270527 1.00 MAPK1 (0.53) MAPK1EPHX2TDP1LMNAALDH1A1
SCHEMBL2146121 0.93 EPHX2 (0.58) MAPK1EPHX2LMNAALDH1A1L3MBTL1
SCHEMBL4779124 0.89 ALDH1A1 (0.54) MAPK1EPHX2ALDH1A1L3MBTL1NPSR1
SCHEMBL16992397 0.89 MAPK1 (0.55) MAPK1EPHX2TDP1LMNAALDH1A1
SCHEMBL29117235 0.84 ALDH1A1 (0.60) MAPK1EPHX2LMNAALDH1A1L3MBTL1
SCHEMBL29117233 0.84 ALDH1A1 (0.60) MAPK1EPHX2LMNAALDH1A1L3MBTL1
SCHEMBL1624691 0.81 KDM5A (0.52) ALDH1A1
SCHEMBL1437945 0.81 EPHX2 (0.61) MAPK1EPHX2LMNAALDH1A1L3MBTL1
SCHEMBL12713904 0.80 MAPK1 (0.48) MAPK1EPHX2TDP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149972-B 2- (aryl (azacycloalkane-1-yl) methyl) phenol derivatives and use thereof 四川大学 2022-09-13 CN disclosed
CN-113149972-A 2- (aryl (azacycloalkane-1-yl) methyl) phenol derivatives and use thereof 四川大学 2021-07-23 CN disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
EP-2035409-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANATGONIST FOR THE CB1-RECEPTOR AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 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-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR CNR1, CNR2, CCKAR MAPK1 2437/4885EPHX2 2170/4885TDP1 4532/4885

“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.