SCHEMBL5607426

SCHEMBL5607426

CN(Cc1ccccc1)C(=O)CCC(N)=O

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.83
RAB9A P51151 3/20 0.83
KMT2A Q03164 3/20 0.70
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RIPK1 Q13546 1/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
AOC3 Q16853 1/20 0.51
TSPO P30536 1/20 0.51
CDK4 P11802 1/20 0.51
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
TPSAB1 Q15661 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7282371 0.86 NPC1 (0.89) NPC1RAB9AKMT2ACA12CA9
SCHEMBL7135592 0.84 NPC1 (0.79) NPC1RAB9AKMT2ACA12CA9
SCHEMBL8397202 0.84 NPC1 (0.86) NPC1RAB9AKMT2ACA12CA9
SCHEMBL4072151 0.84 NPC1 (0.85) NPC1RAB9AKMT2ACA12CA9
SCHEMBL4064581 0.82 KMT2A (1.00) NPC1RAB9AKMT2ACA12CA9
SCHEMBL1690816 0.82 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL12290151 0.82 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL6403389 0.81 RAB9A (0.79) NPC1RAB9AKMT2ACA12CA9
SCHEMBL4884116 0.81 NPC1 (0.79) NPC1RAB9AKMT2ACA12CA9
SCHEMBL6632648 0.80 AOC3 (0.73) NPC1RAB9AKMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 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-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP NPC1 2647/4885RAB9A 1699/4885KMT2A 3688/4885
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 97/4885RAB9A 2187/4885KMT2A 3868/4885

“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.