SCHEMBL19734014

SCHEMBL19734014

O=C1CCc2cc(-c3ccccn3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
HSD17B1 P14061 4/20 0.51
CNR2 P34972 1/20 0.46
GRM5 P41594 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PTGS2 P35354 1/20 0.44
MET P08581 1/20 0.43
SLC11A2 P49281 2/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7499346 0.91 HSD17B1 (0.54) CYP1A2CYP11B1CYP11B2HSD17B1CNR2
SCHEMBL2433975 0.82 CYP1A2 (0.60) CYP1A2CYP11B1CYP11B2HSD17B1GRM5
SCHEMBL30641498 0.79 MAOA (0.49) HSD17B1CNR2PTGS2METPDK2
SCHEMBL28655414 0.77 HSD17B1 (0.78) CYP1A2CYP11B1CYP11B2HSD17B1GRM5
SCHEMBL1745161 0.76 HSD17B1 (0.71) CYP1A2CYP11B1CYP11B2HSD17B1GRM5
SCHEMBL13680668 0.76 CYP1A2 (0.50) CYP1A2CYP11B1CYP11B2HSD17B1GRM5
SCHEMBL14925863 0.75 CYP2A6 (0.41) PARP10PARP11PTGS2METSLC11A2
SCHEMBL2448407 0.75 KDM4E (0.49) CYP1A2CYP11B1CYP11B2HSD17B1GRM5
SCHEMBL6130756 0.74 PDK2 (0.51) CYP1A2CNR2HTR1AHTR7PDK2
SCHEMBL23351094 0.73 CYP11B1 (0.47) CYP1A2CYP11B1CYP11B2CNR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CYP1A2 4031/4885CYP11B1 1721/4885CYP11B2 2087/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 CYP1A2 4031/4885CYP11B1 1721/4885CYP11B2 2087/4885

“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.