SCHEMBL770497

SCHEMBL770497

O=C(CCC(=O)N1CCC2CCCC=C2C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.53
CACNB1 Q02641 9/20 0.53
CACNA1B Q00975 8/20 0.53
CACNA1C Q13936 6/20 0.53
CACNA1H O95180 1/20 0.53
ALDH1A1 P00352 3/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1G O43497 3/20 0.47
MAPK1 P28482 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CACNA1A O00555 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 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
SCHEMBL771261 0.96 CACNA2D1 (0.51) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL770373 0.95 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL770395 0.88 CNR1 (0.50) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL771656 0.82 MAPK1 (0.36) ALDH1A1LMNAHTTMAPK1NPC1
SCHEMBL770736 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL771900 0.80 ATM (0.39) ALDH1A1GAAL3MBTL1NPC1MEN1
SCHEMBL770696 0.80 MEN1 (0.38) ALDH1A1USP2LMNAHTTMAPK1
SCHEMBL770448 0.79 SMN1; SMN2 (0.44) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL770214 0.79 AR (0.52) ALDH1A1USP2TSHRMAPK1NPC1
SCHEMBL770939 0.78 NPC1 (0.49) ALDH1A1LMNANPC1MEN1KMT2A

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 CACNA2D1 3305/4885CACNB1 4111/4885CACNA1B 3651/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CACNA2D1 3302/4885CACNB1 4104/4885CACNA1B 3638/4885

“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.