SCHEMBL770744

SCHEMBL770744

NCCC(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL771398 0.92 SMYD3 (0.36) SMYD3MAPK1ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL771656 0.91 MAPK1 (0.36) MAPK1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL771214 0.91 ITGB3 (0.38) SMYD3MAPK1ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL771618 0.89 CPN1 (0.35) SMYD3ALDH1A1POLBSMN1; SMN2SIGMAR1
SCHEMBL770401 0.89 LMNA (0.39) MAPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL769789 0.89 NPC1 (0.42) MAPK1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL769773 0.87 HDAC3 (0.35) MAPK1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL771900 0.86 ATM (0.39) ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL770696 0.86 MEN1 (0.38) MAPK1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL771910 0.86 ALDH1A1 (0.42) MAPK1ALDH1A1POLBSMN1; SMN2LMNA

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 3969/4885MAPK1 401/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMYD3 4002/4885MAPK1 410/4885ALDH1A1 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.