SCHEMBL770430

SCHEMBL770430

O=C(NCCCCC(=O)N1CCCC2CCCCC21)Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
HSD11B1 P28845 1/20 0.49
DPP4 P27487 1/20 0.48
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 2/20 0.45
CCR3 P51677 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL771893 0.92 HSD11B1 (0.52) HTR3AHSD11B1DPP4KMT2ANPC1
SCHEMBL771767 0.89 NPC1 (0.59) HTR3AHSD11B1DPP4KMT2ANPC1
SCHEMBL10138730 0.87 NPC1 (0.53) HTR3AHSD11B1KMT2ANPC1RAB9A
SCHEMBL771105 0.83 HSD11B1 (0.51) HSD11B1DPP4KMT2ANPC1RAB9A
SCHEMBL770221 0.81 NPC1 (0.63) HSD11B1DPP4KMT2ANPC1RAB9A
SCHEMBL771103 0.79 HSD11B1 (0.48) HSD11B1DPP4KMT2ANPC1RAB9A
SCHEMBL771102 0.79 HSD11B1 (0.48) HSD11B1DPP4KMT2ANPC1RAB9A
SCHEMBL771583 0.79 SMN1; SMN2 (0.57) HSD11B1DPP4KMT2ANPC1RAB9A
SCHEMBL770644 0.78 EPHX1 (0.44) NPSR1
SCHEMBL771262 0.78 EPHX1 (0.43) DPP4NPC1RAB9ASMN1; SMN2

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 6 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
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 HTR3A 1502/4885HSD11B1 1/4885DPP4 1092/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HTR3A 1501/4885HSD11B1 1/4885DPP4 1125/4885

“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.