SCHEMBL770669

SCHEMBL770669

CCOC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
KCNJ1 P48048 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
EPHX1 P07099 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
TLR4 O00206 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 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
SCHEMBL770024 0.90 HRH3 (0.35) ALDH1A1LMNAL3MBTL1HRH3
SCHEMBL770840 0.90 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL770267 0.90 ALOX5 (0.38) ALDH1A1MAPK1MAPTHPGDKMT2A
SCHEMBL770279 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1MAPTL3MBTL1
SCHEMBL770668 0.82 KCNH2 (0.40) KCNH2KCNJ1ALDH1A1LMNAMAPK1
SCHEMBL772068 0.79 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL772447 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL770041 0.77 RAB9A (0.42) ALDH1A1LMNAMAPTHPGDTDP1
SCHEMBL771753 0.77 KMT2A (0.44) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL771071 0.77 TPSAB1 (0.38) ALDH1A1SMN1; SMN2

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-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 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 KCNH2 4431/4885KCNJ1 3555/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KCNH2 4424/4885KCNJ1 3543/4885ALDH1A1 142/4885

“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.