SCHEMBL1129849

SCHEMBL1129849

N#Cc1ccc2c(c1)CCNC21CCCn2cncc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.40
KDM1A O60341 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PNMT P11086 1/20 0.36
CYP11B2 P19099 12/20 0.36
CYP11B1 P15538 7/20 0.34
MEN1 O00255 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1129540 0.90 CYP19A1 (0.38) CYP19A1KDM1ADRD2DRD3PNMT
SCHEMBL1129482 0.82 CYP19A1 (0.35) CYP19A1KDM1ACYP11B2CYP11B1KCNH2
SCHEMBL3617615 0.81 KDM1A (0.41) CYP19A1KDM1ADRD2DRD3PNMT
SCHEMBL1129324 0.81 KDM1A (0.46) CYP19A1KDM1ADRD2DRD3PNMT
SCHEMBL1128983 0.77 CYP19A1 (0.37) CYP19A1CYP11B2CYP11B1
SCHEMBL3610862 0.77 CYP19A1 (0.39) CYP19A1KDM1ADRD2DRD3CYP11B2
SCHEMBL3368780 0.77 KDM1A (0.40) CYP19A1KDM1ACYP11B2CYP11B1KCNH2
SCHEMBL3616103 0.74 CYP19A1 (0.45) CYP19A1KDM1ACYP11B2CYP11B1KCNH2
SCHEMBL3367425 0.74 FASN (0.38) CYP19A1KDM1ADRD3CYP11B2KCNH2
SCHEMBL1128884 0.73 CYP11B2 (0.40) CYP19A1KDM1ADRD2DRD3CYP11B2

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 8 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-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP 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
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 3415/4885DRD2 2953/4885

“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.