SCHEMBL770594

SCHEMBL770594

CCc1ccc2c(c1)C(NC(=O)CCCC(=O)N1CCCC3CCCCC31)c1ccccc1CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.43
KCNH2 Q12809 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD4 P21917 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAOK3 Q9H2K8 1/20 0.35

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
SCHEMBL770547 0.90 KCNH2 (0.41) CYP2D6KCNH2HDAC3HDAC8NCOR2
SCHEMBL769700 0.80 MAPT (0.45) KCNH2DRD2MEN1KMT2ANPC1
SCHEMBL770314 0.80 TSHR (0.49) DRD2HTR1AMEN1KMT2ASMN1; SMN2
SCHEMBL771304 0.79 TSHR (0.56) DRD2HTR1AMEN1KMT2ASMN1; SMN2
SCHEMBL770313 0.75 MAPT (0.54) NPC1RAB9AHSD11B1SMN1; SMN2
SCHEMBL771080 0.71 HHAT (0.52) CYP2D6KCNH2HDAC3HDAC8NCOR2
SCHEMBL795112 0.71 HHAT (0.52) CYP2D6KCNH2HDAC3HDAC8NCOR2
SCHEMBL770291 0.70 GAA (0.56) HTR1AMEN1KMT2ANPC1RAB9A
SCHEMBL772428 0.69 SMN1; SMN2 (0.53) CYP2D6HDAC3HDAC8NCOR2MEN1
SCHEMBL771390 0.69 SMN1; SMN2 (0.53) CYP2D6HDAC3HDAC8NCOR2MEN1

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-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 CYP2D6 395/4885KCNH2 4431/4885HDAC3 1439/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CYP2D6 394/4885KCNH2 4424/4885HDAC3 1448/4885

“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.