SCHEMBL3616103

SCHEMBL3616103

N#Cc1ccc2c(c1)C1(CCC2)CCCn2cncc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.45
KDM1A O60341 2/20 0.39
CYP11B2 P19099 15/20 0.38
CYP11B1 P15538 7/20 0.37
KCNH2 Q12809 2/20 0.35
CYP17A1 P05093 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL1129324 0.92 KDM1A (0.46) CYP19A1KDM1ACYP11B2CYP11B1
SCHEMBL12060813 0.89 CYP19A1 (0.37) CYP19A1CYP17A1
SCHEMBL3617615 0.87 KDM1A (0.41) CYP19A1KDM1ACYP11B2CYP11B1
SCHEMBL1129017 0.82 SIGMAR1 (0.39) CYP19A1CYP17A1
SCHEMBL3617961 0.81 CYP11B2 (0.37) CYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL1129028 0.80 SIGMAR1 (0.43) KDM1ACYP17A1
SCHEMBL742434 0.79 CYP19A1 (0.42) CYP19A1KDM1ACYP11B2CYP11B1KCNH2
SCHEMBL1129577 0.79 MAP3K5 (0.35) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3396999 0.79 CYP19A1 (0.37) CYP19A1KDM1ACYP11B2CYP11B1KCNH2
SCHEMBL1129448 0.79 CYP11B2 (0.35) CYP19A1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP19A1 67/4885KDM1A 3415/4885CYP11B2 15/4885

“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.