SCHEMBL5232787

SCHEMBL5232787

COc1ccc2c(c1)C(=NO)[C@@H](C)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ APP P05067 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP19A1 P11511 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ CYP26A1 O43174 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL5232775 1.00 ACHE (0.47) ACHEMEN1ALDH1A1APPMAPT
SCHEMBL5232781 1.00 ACHE (0.47) ACHEMEN1ALDH1A1APPMAPT
SCHEMBL8674315 0.79 ACHE (0.44) ACHEMEN1ALDH1A1KMT2AHTR2A
SCHEMBL5237012 0.77 ACHE (0.71) ACHEALDH1A1DRD2DRD3CYP19A1
SCHEMBL5237018 0.77 ACHE (0.71) ACHEALDH1A1DRD2DRD3CYP19A1
SCHEMBL5237022 0.77 ACHE (0.71) ACHEALDH1A1DRD2DRD3CYP19A1
SCHEMBL3370114 0.74 HPGD (0.49) ACHEALDH1A1MAPT
SCHEMBL30363500 0.74 HPGD (0.49) ACHEALDH1A1MAPT
SCHEMBL10041963 0.74 HPGD (0.49) ACHEALDH1A1MAPT
SCHEMBL3370115 0.74 HPGD (0.49) ACHEALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 — — EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 — — US disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 — — 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 (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-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR ACHE 979/4885MEN1 3149/4885ALDH1A1 1278/4885

“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.

Send feedback