SCHEMBL972842

SCHEMBL972842

CCc1ccccc1Oc1ccccc1C(=O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.51
POLB P06746 3/20 0.50
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL972843 1.00 KDM2B (0.51) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL1860263 0.88 POLB (0.52) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL1860261 0.88 POLB (0.52) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL3881644 0.87 TSHR (0.57) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL1868663 0.87 TSHR (0.57) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL973327 0.86 KDM2B (0.55) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL5317285 0.85 MEN1 (0.52) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL3629662 0.84 POLB (0.53) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL1868095 0.81 GAA (0.47) KDM2BPOLBALDH1A1MAPK1MAPT
SCHEMBL4747066 0.81 GAA (0.47) KDM2BPOLBALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 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 (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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 KDM2B 2547/4885POLB 757/4885ALDH1A1 784/4885

“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.