SCHEMBL771767

SCHEMBL771767

O=C(NCCCCC(=O)N1CCCC2CCCCC21)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.50
EPHX1 P07099 4/20 0.49
HSD11B1 P28845 3/20 0.48
HSD17B1 P14061 1/20 0.47
CCR3 P51677 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
DPP4 P27487 1/20 0.47
HTR3A P46098 1/20 0.47
FKBP1A P62942 1/20 0.46
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL770221 0.92 NPC1 (0.63) NPC1RAB9ASMN1; SMN2EPHX1HSD11B1
SCHEMBL770430 0.89 HTR3A (0.52) NPC1RAB9ASMN1; SMN2LMNAHSD11B1
SCHEMBL771583 0.89 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2LMNAHSD11B1
SCHEMBL769682 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2EPHX1HSD11B1
SCHEMBL771633 0.86 FKBP1A (0.49) NPC1RAB9ASMN1; SMN2EPHX1HSD11B1
SCHEMBL771343 0.82 DPP4 (0.49) NPC1RAB9ASMN1; SMN2EPHX1HSD11B1
SCHEMBL771523 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2EPHX1HSD11B1
SCHEMBL771893 0.81 HSD11B1 (0.52) NPC1RAB9ASMN1; SMN2LMNAEPHX1
SCHEMBL771339 0.81 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HSD11B1HSD17B1
SCHEMBL772292 0.81 DPP4 (0.70) NPC1RAB9ASMN1; SMN2HSD11B1HSD17B1

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 NPC1 97/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885SMN1; 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.