SCHEMBL771398

SCHEMBL771398

NCCCC(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CACNA1G O43497 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL771214 0.96 ITGB3 (0.38) SMYD3SIGMAR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL770744 0.92 SMYD3 (0.37) SMYD3SIGMAR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL770401 0.92 LMNA (0.39) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL769789 0.92 NPC1 (0.42) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL771656 0.89 MAPK1 (0.36) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL770204 0.88 HDAC3 (0.42) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL770997 0.87 ATM (0.47) SMN1; SMN2NPC1ALDH1A1HPGDHTT
SCHEMBL770381 0.87 ITGB3 (0.41) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL770768 0.87 ITGB3 (0.41) SMN1; SMN2NPC1ALDH1A1LMNAMAPT
SCHEMBL771969 0.87 KMT2A (0.44) SMN1; SMN2NPC1ALDH1A1HPGDHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP 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-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 SMYD3 3969/4885SIGMAR1 3447/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMYD3 4002/4885SIGMAR1 3410/4885SMN1; SMN2 3637/4885

“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.