SCHEMBL771007

SCHEMBL771007

O=C(NCCCC(=O)N1CCCC2CCCCC21)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
DPP4 P27487 6/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL770967 0.93 RAB9A (0.56) NPC1RAB9AL3MBTL1KDM4EGAA
SCHEMBL770297 0.84 GAA (0.52) NPC1RAB9AKDM4EGAADPP4
SCHEMBL772292 0.82 DPP4 (0.70) NPC1RAB9AKDM4EGAADPP4
SCHEMBL772462 0.78 ALDH1A1 (0.53) NPC1RAB9AL3MBTL1DPP4ALDH1A1
SCHEMBL770817 0.78 ADAM17 (0.47) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL772280 0.77 NPC1 (0.48) NPC1RAB9ADPP4SMN1; SMN2
SCHEMBL770827 0.77 DPP4 (0.38) NPC1RAB9AGAAGLADPP4
SCHEMBL771667 0.77 PREP (0.55) DPP4HPGD
SCHEMBL769999 0.76 POLB (0.47) RAB9AL3MBTL1KDM4EGAAALDH1A1
SCHEMBL769889 0.76 HSD11B1 (0.57) NPC1RAB9AGAADPP4ALDH1A1

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 5 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-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
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 2187/4885L3MBTL1 4097/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885L3MBTL1 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.