SCHEMBL770612

SCHEMBL770612

O=C(CCNC(=O)N1CCCC2CCCCC21)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
DPP4 P27487 1/20 0.55
DPP8 Q6V1X1 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
EPHX2 P34913 4/20 0.53
POLB P06746 1/20 0.49
HSD11B1 P28845 1/20 0.49
NAMPT P43490 1/20 0.48
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
FKBP1A P62942 2/20 0.47
PREP P48147 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 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
SCHEMBL770625 0.93 EPHX2 (0.62) HRH3DPP4DPP8DPP7NPC1
SCHEMBL771389 0.93 EPHX2 (0.56) HRH3DPP4DPP8DPP7NPC1
SCHEMBL770096 0.90 NPC1 (0.55) HRH3DPP4DPP8DPP7NPC1
SCHEMBL770482 0.89 EPHX2 (0.62) HRH3NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770320 0.85 DPP4 (0.54) HRH3DPP4DPP8DPP7NPC1
SCHEMBL770751 0.85 DPP4 (0.54) HRH3DPP4DPP8DPP7NPC1
SCHEMBL771367 0.85 PREP (0.55) HRH3DPP4DPP8DPP7NPC1
SCHEMBL770377 0.84 DPP4 (0.50) HRH3DPP4DPP8DPP7NPC1
SCHEMBL771517 0.83 FKBP1A (0.54) HRH3DPP4DPP8DPP7NPC1
SCHEMBL771985 0.83 MEN1 (0.53) DPP4DPP8DPP7NPC1RAB9A

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 HRH3 1687/4885DPP4 1092/4885DPP8 1886/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HRH3 1698/4885DPP4 1125/4885DPP8 1905/4885

“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.