SCHEMBL772219

SCHEMBL772219

O=C(CCCNC(=O)C1(c2ccccc2)CC1)N1CCCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HSD11B1 P28845 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 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
SCHEMBL771856 0.97 SMN1; SMN2 (0.52) DPP4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL770593 0.96 SMN1; SMN2 (0.51) DPP4SMN1; SMN2HTTNPC1RAB9A
SCHEMBL770715 0.90 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AHRH3
SCHEMBL770415 0.89 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1RAB9AHRH3
SCHEMBL770892 0.87 DRD2 (0.50) HRH3LMNADRD2DRD4HSD11B1
SCHEMBL772213 0.85 DPP4 (0.41) DPP4SMN1; SMN2HTTHRH3OPRL1
SCHEMBL772292 0.81 DPP4 (0.70) DPP4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL771343 0.81 DPP4 (0.49) DPP4SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL769889 0.79 HSD11B1 (0.57) DPP4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL772280 0.79 NPC1 (0.48) DPP4SMN1; SMN2NPC1RAB9AEPHX2

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 DPP4 1092/4885SMN1; SMN2 3653/4885HTT 412/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DPP4 1125/4885SMN1; SMN2 3637/4885HTT 425/4885

“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.