SCHEMBL770967

SCHEMBL770967

O=C(NCCC(=O)N1CCCC2CCCCC21)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNH2 Q12809 1/20 0.47
CHRM1 P11229 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 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
SCHEMBL771007 0.93 NPC1 (0.54) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL769999 0.82 POLB (0.47) RAB9AL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL770799 0.81 DPP4 (0.60) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL770994 0.81 RAB9A (0.55) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL12181520 0.78 KDM4E (0.59) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL772325 0.77 RAB9A (0.53) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL770297 0.77 GAA (0.52) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12181449 0.77 ALDH1A1 (0.58) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL769965 0.76 NPC1 (0.50) RAB9ANPC1SMN1; SMN2
SCHEMBL771679 0.76 NPC1 (0.47) RAB9ANPC1SMN1; SMN2

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 RAB9A 2187/4885NPC1 97/4885L3MBTL1 4097/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 RAB9A 2217/4885NPC1 104/4885L3MBTL1 4090/4885

“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.