SCHEMBL958012

SCHEMBL958012

CC(O)(CC#N)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
CCR6 P51684 1/20 0.37
KCNH2 Q12809 1/20 0.37
KIF11 P52732 3/20 0.36
PGR P06401 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL19204248 0.79 SCN5A (0.47) CYP19A1SCN5ASCN9ACHRM3TSHR
SCHEMBL9906173 0.79 SCN5A (0.47) CYP19A1SCN5ASCN9ACHRM3TSHR
SCHEMBL18704255 0.79 KMT2A (0.52) CYP19A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL955513 0.78 CYP2C19 (0.42) MAPTSMN1; SMN2CYP3A4ALOX15KMT2A
SCHEMBL31310650 0.78 CYP2C19 (0.42) MAPTSMN1; SMN2CYP3A4ALOX15KMT2A
SCHEMBL957885 0.75 KIF11 (0.51) CYP19A1SCN5ASCN9ACHRM3KIF11
SCHEMBL31410617 0.74 AR (0.40) MEN1KMT2AHSD11B1RAPGEF3
SCHEMBL15391009 0.74 RECQL (0.39)
SCHEMBL1155523 0.74 CYP19A1 (0.50) CYP19A1SCN5ASCN9ACHRM3MAPT
SCHEMBL4294497 0.74 CYP19A1 (0.50) CYP19A1SCN5ASCN9ACHRM3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO 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 (1 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP19A1 55/4885SCN5A 436/4885SCN9A 811/4885

“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.