SCHEMBL769682

SCHEMBL769682

O=C(NCCCNC(=O)N1CCCC2CCCCC21)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD11B1 P28845 3/20 0.50
FKBP1A P62942 1/20 0.50
CCR3 P51677 2/20 0.49
HSD17B1 P14061 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX2 P34913 2/20 0.48
EPHX1 P07099 5/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HTR3A P46098 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
SCHEMBL770950 0.89 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HSD11B1FKBP1A
SCHEMBL10138730 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD11B1CCR3
SCHEMBL771767 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HSD11B1FKBP1A
SCHEMBL770423 0.85 FKBP1A (0.55) NPC1RAB9ASMN1; SMN2HSD11B1FKBP1A
SCHEMBL770221 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HSD11B1CCR3
SCHEMBL10138743 0.82 GAA (0.49) NPC1RAB9ASMN1; SMN2HSD11B1MEN1
SCHEMBL771000 0.81 CCR3 (0.49) NPC1RAB9ASMN1; SMN2CCR3TSHR
SCHEMBL771740 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TSHRPOLB
SCHEMBL15386700 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HSD11B1FKBP1A
SCHEMBL770625 0.79 EPHX2 (0.62) NPC1RAB9ASMN1; SMN2HSD11B1FKBP1A

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.