SCHEMBL1096719

SCHEMBL1096719

CCOC(=O)c1cncn1[C@H]1c2ccccc2C(=O)OC1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 1.00
IDO1 P14902 4/20 0.46
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP11B1 P15538 2/20 0.43
GABRA2 P47869 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1096622 1.00 CYP11B2 (1.00) CYP11B2IDO1GABRA1GABRB2CYP1A2
SCHEMBL1097778 0.89 CYP11B2 (0.80) CYP11B2IDO1GABRA1GABRB2CYP1A2
SCHEMBL1098831 0.88 CYP11B2 (0.79) CYP11B2IDO1CYP11B1ALDH1A1KDM4E
SCHEMBL1098830 0.88 CYP11B2 (0.79) CYP11B2IDO1CYP11B1ALDH1A1KDM4E
SCHEMBL1097166 0.85 CYP11B2 (0.74) CYP11B2IDO1POLBL3MBTL1
SCHEMBL1097963 0.85 CYP11B2 (0.74) CYP11B2IDO1GABRA1GABRB2CYP3A4
SCHEMBL1097167 0.85 CYP11B2 (0.74) CYP11B2IDO1POLBL3MBTL1
SCHEMBL1097382 0.85 CYP11B2 (0.73) CYP11B2IDO1ALDH1A1
SCHEMBL1099042 0.85 CYP11B2 (0.73) CYP11B2IDO1CYP3A4
SCHEMBL1096266 0.81 CYP11B2 (0.69) CYP11B2IDO1CYP3A4

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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 (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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP11B2 28/4885IDO1 2430/4885GABRA1 4251/4885

“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.