SCHEMBL770491

SCHEMBL770491

O=C(CCCNC(=O)N1CCCC2CCCCC21)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 2/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL770598 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ATMKMT2A
SCHEMBL772486 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ATMKMT2A
SCHEMBL770864 0.92 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ATMHSD11B1
SCHEMBL771182 0.92 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ATMHSD11B1
SCHEMBL770244 0.92 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ATMHSD11B1
SCHEMBL772280 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2DPP4EPHX2
SCHEMBL770982 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AHSD11B1
SCHEMBL770765 0.87 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL770310 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AHSD11B1
SCHEMBL770587 0.84 KMT2A (0.42) NPC1RAB9ASMN1; SMN2KMT2AHSD11B1

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.