SCHEMBL3370381

SCHEMBL3370381

N#Cc1ccc2c(c1)C1(CCCn3cncc31)OC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.34
FASN P49327 4/20 0.33
CYP11B2 P19099 8/20 0.33
KDM1A O60341 2/20 0.33
CYP11B1 P15538 2/20 0.33
OPRD1 P41143 1/20 0.32
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3366305 0.93 CYP17A1 (0.33) CYP19A1FASNCYP11B2KDM1ACYP11B1
SCHEMBL3367425 0.92 FASN (0.38) CYP19A1FASNCYP11B2KDM1AKCNH2
SCHEMBL3396999 0.89 CYP19A1 (0.37) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3365832 0.85 FASN (0.37) FASNKDM1AKCNH2
SCHEMBL3366407 0.85 FASN (0.37) FASNKDM1AKCNH2
SCHEMBL742434 0.84 CYP19A1 (0.42) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3368780 0.83 KDM1A (0.40) CYP19A1FASNCYP11B2KDM1ACYP11B1
SCHEMBL741384 0.81 KDM1A (0.40) CYP19A1CYP11B2KDM1ACYP11B1BACE1
SCHEMBL3368777 0.81 KDM1A (0.37) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3368835 0.81 KDM4E (0.32) CYP11B2CYP11B1

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 CYP19A1 59/4885FASN 604/4885CYP11B2 6/4885

“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.