SCHEMBL771447

SCHEMBL771447

O=C(/C=C/c1ccccc1)NCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL771449 1.00 KMT2A (0.50) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL771550 0.94 KMT2A (0.54) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL771552 0.94 KMT2A (0.54) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL771029 0.81 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL771031 0.81 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL770799 0.80 DPP4 (0.60) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL770221 0.78 NPC1 (0.63) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL770259 0.78 HSD11B1 (0.59) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL771679 0.78 NPC1 (0.47) SMN1; SMN2RAB9ANPC1POLBDRD2
SCHEMBL771367 0.77 PREP (0.55) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1

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
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-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
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 KMT2A 3868/4885SMN1; SMN2 3653/4885BCHE 278/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885SMN1; SMN2 3637/4885BCHE 291/4885

“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.