SCHEMBL3365502

SCHEMBL3365502

N#Cc1cc2c(cc1F)C1(CCCn3cncc31)OCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
MAP3K5 Q99683 1/20 0.30
AKR1B1 P15121 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
SCHEMBL3368891 0.96 CYP11B2 (0.33) CYP11B1CYP11B2MAP3K5AKR1B1
SCHEMBL3401093 0.94 CYP11B1 (0.34) CYP11B1CYP11B2AKR1B1
SCHEMBL3368990 0.89 CYP11B1 (0.34) CYP11B1CYP11B2AKR1B1
SCHEMBL3368835 0.89 KDM4E (0.32) CYP11B1CYP11B2
SCHEMBL3366920 0.89 CYP17A1 (0.31)
SCHEMBL3368899 0.85 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL3368111 0.83 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL3394254 0.82 CYP17A1 (0.34)
SCHEMBL3368780 0.81 KDM1A (0.40) CYP11B1CYP11B2
SCHEMBL3397474 0.78 CYP11B1 (0.33) CYP11B1CYP11B2

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 6/4885MAP3K5 1765/4885

“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.