SCHEMBL771389

SCHEMBL771389

O=C(CCCNC(=O)N1CCCC2CCCCC21)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
HRH3 Q9Y5N1 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FKBP1A P62942 3/20 0.51
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
NCOR2 Q9Y618 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL770482 0.96 EPHX2 (0.62) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL770612 0.93 HRH3 (0.57) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL770625 0.91 EPHX2 (0.62) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL771517 0.90 FKBP1A (0.54) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL770751 0.88 DPP4 (0.54) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL770320 0.88 DPP4 (0.54) EPHX2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL771992 0.87 MEN1 (0.55) EPHX2NPC1RAB9AFKBP1ADPP4
SCHEMBL770626 0.85 EPHX2 (0.54) EPHX2NPC1RAB9AFKBP1ADPP4
SCHEMBL769995 0.85 EPHX2 (0.54) EPHX2NPC1RAB9AFKBP1ADPP4
SCHEMBL771985 0.83 MEN1 (0.53) EPHX2NPC1RAB9ASMN1; SMN2FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 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 EPHX2 1149/4885HRH3 1687/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885HRH3 1698/4885NPC1 104/4885

“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.