SCHEMBL770438

SCHEMBL770438

O=C(CCNC(=O)N1CCC2CCCCC2C1)NCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.62
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 4/20 0.50
EPHX1 P07099 2/20 0.49
FKBP1A P62942 2/20 0.47
TPSAB1 Q15661 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL770746 0.96 NAMPT (0.57) NAMPTL3MBTL1EPHX2EPHX1FKBP1A
SCHEMBL770878 0.92 NAMPT (0.52) NAMPTL3MBTL1EPHX2
SCHEMBL770386 0.88 HRH3 (0.54) NAMPT
SCHEMBL771571 0.87 NAMPT (0.54) NAMPTL3MBTL1EPHX2EPHX1GAA
SCHEMBL770384 0.86 HRH3 (0.52) NAMPTFKBP1ATPSAB1GAA
SCHEMBL771711 0.86 LMNA (0.49) NAMPTL3MBTL1EPHX2EPHX1HPGD
SCHEMBL770274 0.83 KEAP1 (0.52) EPHX2EPHX1FKBP1AHPGD
SCHEMBL1677776 0.82 NAMPT (0.44) NAMPTEPHX2EPHX1FKBP1ATPSAB1
SCHEMBL770625 0.82 EPHX2 (0.62) NAMPTL3MBTL1EPHX2EPHX1FKBP1A
SCHEMBL769627 0.82 HDAC3 (0.51) NAMPTEPHX2EPHX1HPGD

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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NAMPT 2501/4885L3MBTL1 4097/4885EPHX2 1149/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NAMPT 2543/4885L3MBTL1 4090/4885EPHX2 1153/4885

“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.