SCHEMBL770668

SCHEMBL770668

CCOC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
KCNJ1 P48048 1/20 0.40
EPHX1 P07099 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL794952 0.90 MEN1 (0.40) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL770023 0.89 NPC1 (0.40) ALDH1A1KMT2AHPGDL3MBTL1MEN1
SCHEMBL770839 0.88 DRD2 (0.47) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL770266 0.87 FKBP1A (0.40) SIGMAR1ALDH1A1KMT2AHPGDMEN1
SCHEMBL771141 0.87 CA1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL770278 0.85 NPC1 (0.49) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL770469 0.84 HSD17B10 (0.45) ALDH1A1KMT2AL3MBTL1MEN1HTT
SCHEMBL770669 0.82 KCNH2 (0.38) KCNH2KCNJ1EPHX1SIGMAR1ALDH1A1
SCHEMBL769836 0.79 FKBP1A (0.41) ALDH1A1POLBKMT2AMAPK1LMNA
SCHEMBL794343 0.79 NPC1 (0.46) ALDH1A1POLBSMN1; SMN2KMT2AMAPK1

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 7 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-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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 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 3555/4885EPHX1 227/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KCNH2 4424/4885KCNJ1 3543/4885EPHX1 232/4885

“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.