SCHEMBL770362

SCHEMBL770362

O=C(CCCC(=O)N1CCCC2CCCCC21)NC(c1ccccc1)C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.41
HSD17B1 P14061 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ACE P12821 2/20 0.40
ACE2 Q9BYF1 2/20 0.40

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
SCHEMBL802601 0.87 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2HSD11B1HSD17B1
SCHEMBL771118 0.85 PRCP (0.50) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL772523 0.85 PRCP (0.50) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10138695 0.82 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2HSD11B1MEN1
SCHEMBL771811 0.82 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2HSD11B1MEN1
SCHEMBL771050 0.82 DPP4 (0.51) NPC1RAB9ASMN1; SMN2HSD11B1MEN1
SCHEMBL770883 0.82 DPP4 (0.46) NPC1RAB9ASMN1; SMN2HSD11B1ACE
SCHEMBL771117 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HSD11B1HSD17B1
SCHEMBL770231 0.82 MEN1 (0.53) NPC1RAB9ASMN1; SMN2HSD11B1HSD17B1
SCHEMBL803113 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.