SCHEMBL1129687

SCHEMBL1129687

Oc1ccc2c(c1)OCCC21CCCn2cncc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL1129577 0.84 MAP3K5 (0.35)
SCHEMBL1129296 0.83 SCN9A (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1129017 0.78 SIGMAR1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1129448 0.74 CYP11B2 (0.35)
SCHEMBL1129260 0.74 SCN9A (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3464404 0.67 CYP19A1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL743744 0.66 SIGMAR1 (0.36)
SCHEMBL1129324 0.66 KDM1A (0.46) DRD2DRD3
SCHEMBL1129300 0.65 KDM1A (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3616103 0.64 CYP19A1 (0.45) CYP17A1

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 DRD2 2953/4885DRD1 2338/4885DRD4 3336/4885
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 DRD2 82/4885DRD1 232/4885DRD4 322/4885

“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.