SCHEMBL5051697

SCHEMBL5051697

N#Cc1ccc(C2(O)CCCc3ncncc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.50
CYP11B1 P15538 4/20 0.50
CYP19A1 P11511 4/20 0.41
PGR P06401 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GRM4 Q14833 1/20 0.33
CYP17A1 P05093 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM1A O60341 1/20 0.33
SYK P43405 1/20 0.32
TRPA1 O75762 1/20 0.30
AR P10275 1/20 0.30
FGFR4 P22455 1/20 0.30
VNN1 O95497 1/20 0.30
BTD P43251 1/20 0.30

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
SCHEMBL27664130 0.79 CYP11B1 (0.35) CYP11B2CYP11B1PGRGRM4CYP3A4
SCHEMBL13599735 0.72 PGR (0.49) CYP11B2CYP11B1CYP19A1PGROPRM1
SCHEMBL1131394 0.69 KDM1A (0.34) CYP11B2CYP11B1CYP19A1GRM4KDM1A
SCHEMBL14264346 0.68 CYP11B1 (0.34) CYP11B2CYP11B1GRM4
SCHEMBL15313258 0.67 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL15311835 0.67 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL1179630 0.66 CYP19A1 (0.46) CYP11B2CYP11B1CYP19A1OPRM1OPRD1
SCHEMBL732031 0.64 KDM1A (0.46) CYP11B2CYP11B1CYP19A1PGRCYP17A1
SCHEMBL5045386 0.63 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1
SCHEMBL8746223 0.62 KDM1A (0.47) CYP11B2CYP11B1CYP19A1PGRCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US disclosed
CN-1968930-A Bicyclic nitrogen-containing heterocycles as aromatase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-05-23 CN disclosed
EP-1765777-A2 BICYCLIC, NITROGEN-CONTAINING HETEROCYCLES AS AROMATASE INHIBITORS Speedel Experimenta AG (CH) 2007-03-28 EP disclosed
WO-2005118540-A2 BICYCLIC, NITROGEN-CONTAINING HETEROCYCLES AS AROMATASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-12-15 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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 CYP11B2 6/4885CYP11B1 5/4885CYP19A1 1/4885

“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.