SCHEMBL770661

SCHEMBL770661

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.39
CYP2D6 P10635 6/20 0.39
KCNH2 Q12809 6/20 0.39
LMNA P02545 2/20 0.37
HSD11B1 P28845 1/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 2/20 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
SCHEMBL770005 0.88 HDAC4 (0.37) LMNAHSD11B1CHRM1SMN1; SMN2HDAC4
SCHEMBL770901 0.85 LMNA (0.44) LMNAHSD11B1CHRM1TDP1
SCHEMBL771039 0.84 EPHX1 (0.42) LMNAHSD11B1CHRM1TDP1CNR2
SCHEMBL770701 0.81 EPHX1 (0.51)
SCHEMBL770936 0.81 EPHX1 (0.51)
SCHEMBL8396986 0.81 LMNA (0.54) LMNAHSD11B1SMN1; SMN2CNR2
SCHEMBL772125 0.81 PRMT3 (0.39) CACNA1HCYP2D6KCNH2LMNAHSD11B1
SCHEMBL771293 0.80 GAA (0.43) LMNAHSD11B1CHRM1TDP1CNR2
SCHEMBL770881 0.79 TPSAB1 (0.48) LMNAHSD11B1CHRM1TDP1
SCHEMBL802257 0.79 HSD11B1 (0.41) LMNAHSD11B1CHRM1TDP1CNR2

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 CACNA1H 3471/4885CYP2D6 395/4885KCNH2 4431/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CACNA1H 3464/4885CYP2D6 394/4885KCNH2 4424/4885

“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.