SCHEMBL1908654

SCHEMBL1908654

CCNC(=O)N[C@H]1CC[C@H](NC(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
EPHX2 P34913 4/20 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
SCHEMBL965926 0.92
SCHEMBL15263332 0.92 EPHX1 (0.57) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL10159307 0.87 EPHX1 (0.54) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL12436769 0.85 EPHX1 (0.47) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL22722007 0.85 EPHX1 (0.47) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL12801142 0.84 EPHX2 (0.65) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL20233001 0.84 EPHX1 (0.60) EPHX1KDM4EALDH1A1KDM1AMAOB
SCHEMBL965080 0.83 EPHX1 (0.69) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL968340 0.83 EPHX1 (0.63) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL23735497 0.83 EPHX2 (0.61) EPHX1KDM4EALDH1A1EPHX2

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (2 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX1 1339/4885KDM4E 4772/4885ALDH1A1 478/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX1 1066/4885KDM4E 4184/4885ALDH1A1 201/4885

“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.