SCHEMBL770096

SCHEMBL770096

O=C(CCNC(=O)N1CCCC2CCCCC21)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
HRH3 Q9Y5N1 3/20 0.52
FKBP1A P62942 3/20 0.51
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 2/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL771517 0.93 FKBP1A (0.54) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770612 0.90 HRH3 (0.57) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770625 0.88 EPHX2 (0.62) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770423 0.87 FKBP1A (0.55) NPC1RAB9ASMN1; SMN2HRH3FKBP1A
SCHEMBL770428 0.84 DPP4 (0.49) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770456 0.84 MEN1 (0.55) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770291 0.84 GAA (0.56) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770908 0.83 FKBP1A (0.53) NPC1RAB9ASMN1; SMN2HRH3FKBP1A
SCHEMBL771389 0.83 EPHX2 (0.56) NPC1RAB9ASMN1; SMN2DPP4DPP8
SCHEMBL770482 0.83 EPHX2 (0.62) NPC1RAB9ASMN1; SMN2HRH3FKBP1A

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 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.