SCHEMBL3368899

SCHEMBL3368899

N#Cc1cc2c(cc1F)COC21CCCn2cncc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL3368835 0.96 KDM4E (0.32) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL3397474 0.93 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL3368891 0.89 CYP11B2 (0.33) CYP11B1CYP11B2BACE1
SCHEMBL3368111 0.89 CYP11B1 (0.33) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL3365502 0.85 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL3368990 0.83 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL3370381 0.81 CYP19A1 (0.34) CYP11B1CYP11B2BACE1
SCHEMBL3367425 0.80 FASN (0.38) CYP11B2ALDH1A1
SCHEMBL3401093 0.78 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL3366920 0.77 CYP17A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 CYP11B1 4/4885CYP11B2 6/4885BACE1 1631/4885

“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.