SCHEMBL770424

SCHEMBL770424

O=C(CCCCNC(=S)NC(c1ccccc1)c1ccccc1)N1CCCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOB P27338 2/20 0.49
DPP4 P27487 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR1 P25103 7/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
DUT P33316 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL770367 0.93 NPC1 (0.46) KDM1AMAOBDPP4NPC1RAB9A
SCHEMBL771221 0.88 KDM1A (0.51) KDM1AMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL771583 0.85 SMN1; SMN2 (0.57) DPP4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL770684 0.84 FKBP1A (0.48) DPP4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL771040 0.83 KDM1A (0.48) KDM1AMAOBSMN1; SMN2LMNA
SCHEMBL802601 0.83 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL771726 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TACR1ALDH1A1
SCHEMBL771392 0.79 KMT2A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL771767 0.78 NPC1 (0.59) DPP4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL770887 0.78 HRH3 (0.39) DPP4NPC1RAB9ASMN1; SMN2ALDH1A1

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
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-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-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 KDM1A 2065/4885MAOB 1576/4885DPP4 1092/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KDM1A 2083/4885MAOB 1581/4885DPP4 1125/4885

“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.