SCHEMBL10159307

SCHEMBL10159307

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX2 P34913 3/20 0.49
KMT2A Q03164 1/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL1908654 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL15263332 0.87 EPHX1 (0.57) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL965926 0.87
SCHEMBL1919598 0.81 EPHX1 (0.65) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL1908656 0.80 KDM4E (0.50) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL12436769 0.80 EPHX1 (0.47) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL22722007 0.80 EPHX1 (0.47) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL20233001 0.79 EPHX1 (0.60) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL12801142 0.79 EPHX2 (0.65) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL968340 0.79 EPHX1 (0.63) EPHX1KDM4EALDH1A1EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 EPHX1 2784/4885KDM4E 3758/4885ALDH1A1 193/4885

“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.