SCHEMBL863072

SCHEMBL863072

CCOC(=O)c1cncn1C1c2cc(F)ccc2NC(=O)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.52
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP11B1 P15538 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39
TSHR P16473 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP19A1 P11511 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL843420 0.89 CYP11B2 (0.39) CYP11B2CYP11B1MEN1KMT2A
SCHEMBL842870 0.87 CYP11B2 (0.63) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL843144 0.81 CYP11B2 (0.40) CYP11B2CYP11B1
SCHEMBL842710 0.78 NOTUM (0.39) GABRA1GABRB2CYP1A2CYP2C19GABRA2
SCHEMBL842386 0.75 CYP11B2 (0.48) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL8190171 0.73 CYP11B2 (0.36) CYP11B2KMT2A
SCHEMBL843079 0.72 CYP11B2 (0.43) CYP11B2
SCHEMBL1096622 0.69 CYP11B2 (1.00) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL1096719 0.69 CYP11B2 (1.00) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL842863 0.69 SNRNP200 (0.38) MEN1KMT2A

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-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885GABRA1 1544/4885GABRB2 1174/4885

“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.