SCHEMBL769866

SCHEMBL769866

O=C(CCSC(=O)N1CCCC2CCCCC21)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 2/20 0.44

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
SCHEMBL770964 0.88 AR (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL770466 0.85 KMT2A (0.66) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL770674 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL791314 0.80 POLB (0.52) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL772299 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL770440 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL771918 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL794668 0.76 DRD2 (0.43) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL770909 0.76 NPC1 (0.47) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL771530 0.76 HSD11B1 (0.36) ALDH1A1NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KMT2A 3868/4885ALDH1A1 144/4885MEN1 827/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885ALDH1A1 142/4885MEN1 823/4885

“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.