SCHEMBL3269979

SCHEMBL3269979

CC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccccc3)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 8/20 0.46
TSHR P16473 7/20 0.46
CYP1A2 P05177 4/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP30 Q70CQ3 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
HPGD P15428 1/20 0.42
RIPK1 Q13546 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL3273039 0.88 CYP2D6 (0.46) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL3274284 0.84 CYP2D6 (0.50) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL17611736 0.79 USP30 (0.48) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL13309551 0.77 HDAC1 (0.56) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL19693711 0.77 CYP2D6 (0.50) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL8060453 0.76 CYP2D6 (0.72) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL24718689 0.76 RIPK1 (0.65) CYP2D6ALDH1A1TSHRUSP30RIPK1
SCHEMBL30989078 0.76 OPRD1 (0.53) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL12547430 0.76 CYP2D6 (0.53) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4877899 0.76 CYP2D6 (0.65) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2

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-8071773-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTISAG (CH) 2011-12-06 US disclosed
EP-1885724-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-06-23 EP disclosed
US-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-04-30 US disclosed
EP-1885724-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-02-13 EP disclosed
WO-2006128853-A1 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-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP2D6 131/4885ALDH1A1 312/4885CYP3A4 147/4885

“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.