SCHEMBL973327

SCHEMBL973327

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.55
ALDH1A1 P00352 7/20 0.55
MAPK1 P28482 4/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL972842 0.86 KDM2B (0.51) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL972843 0.86 KDM2B (0.51) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL5317285 0.86 MEN1 (0.52) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL3881644 0.74 TSHR (0.57) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL1868663 0.74 TSHR (0.57) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL21926954 0.74 POLB (0.77) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL1860263 0.73 POLB (0.52) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL1860261 0.73 POLB (0.52) KDM2BALDH1A1MAPK1MAPTPOLB
SCHEMBL3723522 0.72 ALDH1A1 (0.61) KDM2BALDH1A1MAPK1MAPTMEN1
SCHEMBL17919629 0.71 KDM2B (1.00) KDM2BALDH1A1POLBMEN1KMT2A

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 3 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
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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-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 2547/4885ALDH1A1 784/4885MAPK1 2504/4885

“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.