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SCHEMBL1129510

SCHEMBL1129510

COC(=O)N1C(=O)C2(CCCn3cncc32)c2ccc(OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.36
▸ SCN9A Q15858 3/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP21A2 P08686 1/20 0.34
▸ OPRM1 P35372 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ PRKDC P78527 4/20 0.33
▸ MTOR P42345 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PIK3CB P42338 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
SCHEMBL1129055 0.87 CYP11B2 (0.42) CYP17A1CYP1A2CYP2C19CYP21A2CYP3A4
SCHEMBL1129261 0.76 PDE7A (0.42) CYP17A1SCN9A
SCHEMBL1129478 0.71 MAP3K5 (0.37) CYP17A1CYP1A2CYP2C19CYP21A2OPRM1
SCHEMBL1129260 0.69 SCN9A (0.38) CYP17A1SCN9ACYP3A4
SCHEMBL1129469 0.68 PDE7A (0.41) CYP17A1CYP1A2OPRM1OPRL1OPRK1
SCHEMBL1129300 0.68 KDM1A (0.40) CYP17A1CYP3A4CYP11B2
SCHEMBL1129518 0.67 CYP19A1 (0.35) CYP17A1SCN9AOPRM1OPRL1OPRK1
SCHEMBL1129028 0.66 SIGMAR1 (0.43) CYP17A1
SCHEMBL15047588 0.66 CYP17A1 (0.59) CYP17A1CYP1A2CYP2C19CYP21A2CYP3A4
SCHEMBL1129296 0.65 SCN9A (0.36) CYP17A1SCN9ACYP11B2

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 4 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
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 — — EP disclosed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 — — US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 — — 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 (2 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-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FBP1, ALDOA, GCK CYP17A1 1426/4885SCN9A 4736/4885CYP1A2 824/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP17A1 5/4885SCN9A 915/4885CYP1A2 71/4885

“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.