SCHEMBL770684

SCHEMBL770684

O=C(CCCCNC(=S)NCc1ccccc1)N1CCCC2CCCCC21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.48
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DPP4 P27487 2/20 0.44
HSD11B1 P28845 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
F2 P00734 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL770953 0.93 ALOX12 (0.48) FKBP1AALDH1A1ALOX12HTTNPC1
SCHEMBL771633 0.89 FKBP1A (0.49) FKBP1ANPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770908 0.87 FKBP1A (0.53) FKBP1AALDH1A1ALOX12HTTNPC1
SCHEMBL771583 0.86 SMN1; SMN2 (0.57) FKBP1AALDH1A1ALOX12HTTNPC1
SCHEMBL771343 0.86 DPP4 (0.49) FKBP1ANPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770456 0.86 MEN1 (0.55) FKBP1AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL770424 0.84 KDM1A (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770291 0.84 GAA (0.56) FKBP1AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL771198 0.82 HSD11B1 (0.48) FKBP1AALDH1A1ALOX12HTTNPC1
SCHEMBL771143 0.82 FKBP1A (0.44) FKBP1AALDH1A1ALOX12HTTNPC1

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 FKBP1A 359/4885ALDH1A1 144/4885ALOX12 328/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 FKBP1A 354/4885ALDH1A1 142/4885ALOX12 333/4885

“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.