SCHEMBL771293

SCHEMBL771293

CCC(C)NC(=O)NCCCNC(=O)N1CCC2CCCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
EPHX1 P07099 2/20 0.42
EPHX2 P34913 4/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.38
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL771039 0.90 EPHX1 (0.42) EPHX1EPHX2LMNACHRM1HSD11B1
SCHEMBL770901 0.84 LMNA (0.44) EPHX1EPHX2LMNAHTTCHRM1
SCHEMBL770818 0.82 EPHX1 (0.45) GAACYP2C19CYP2C9EPHX1EPHX2
SCHEMBL770661 0.80 CACNA1H (0.39) LMNACHRM1HSD11B1TDP1CNR2
SCHEMBL772312 0.79 EPHX2 (0.43) GAACYP2C19CYP2C9EPHX1EPHX2
SCHEMBL770936 0.78 EPHX1 (0.51) GAAEPHX1EPHX2ALDH1A1
SCHEMBL770701 0.78 EPHX1 (0.51) GAAEPHX1EPHX2ALDH1A1
SCHEMBL770860 0.76 EPHX1 (0.43) EPHX1EPHX2MEN1POLBKMT2A
SCHEMBL770881 0.76 TPSAB1 (0.48) EPHX2LMNACHRM1HSD11B1TDP1
SCHEMBL802257 0.76 HSD11B1 (0.41) CYP2C9EPHX2LMNAHTTCHRM1

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 GAA 751/4885CYP2C19 211/4885CYP2C9 303/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 GAA 746/4885CYP2C19 208/4885CYP2C9 305/4885

“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.