SCHEMBL3324359

SCHEMBL3324359

O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.69
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.53
MGLL Q99685 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL3966828 1.00 KDM2B (0.69) KDM2BL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL21926483 0.90 ALDH1A1 (0.72) KDM2BL3MBTL1ALDH1A1MGLLKDM4E
SCHEMBL21926486 0.87 ALDH1A1 (0.76) KDM2BL3MBTL1ALDH1A1MGLLKDM4E
SCHEMBL21926514 0.86 ALDH1A1 (0.70) KDM2BL3MBTL1ALDH1A1MGLL
SCHEMBL3723522 0.84 ALDH1A1 (0.61) KDM2BL3MBTL1ALDH1A1LMNA
SCHEMBL3963250 0.84 HPGD (0.56) KDM2BL3MBTL1ALDH1A1MGLL
SCHEMBL4082779 0.84 ALDH1A1 (0.61) KDM2BL3MBTL1ALDH1A1MGLLKDM4E
Hydrochloric Acid SCHEMBL6998897 0.83 ALDH1A1 (0.60) KDM2BL3MBTL1ALDH1A1LMNA
SCHEMBL13038072 0.83 KDM2B (0.70) KDM2BL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL12023096 0.83 KDM2B (0.72) KDM2BL3MBTL1ALDH1A1LMNANPSR1

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
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
US-20100010228-A1 PROCESS FOR THE ASYMMETRIC REDUCTION OF 3-BENZOYLPIPERIDINES VITAE PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN 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-20100010228-A1 PROCESS FOR THE ASYMMETRIC REDUCTION OF 3-BENZOYLPIPERIDINES QDPR, ADH5, GABARAP KDM2B 389/4885L3MBTL1 4343/4885ALDH1A1 151/4885

“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.