SCHEMBL6772787

SCHEMBL6772787

CCOC(=O)CN(C)C(=O)C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.48
VCP P55072 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LTA4H P09960 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PTPN1 P18031 1/20 0.38
HSP90AA1 P07900 1/20 0.38
OPRK1 P41145 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
SCHEMBL6772023 0.84 GRM5 (0.46) NPSR1CA12CA1CA2CA9
SCHEMBL6771470 0.83 FFAR1 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL6772545 0.82 NPSR1 (0.66) NPSR1VCPMEN1KMT2AHSP90AA1
SCHEMBL6768178 0.81 CA12 (0.40) NPSR1CA12CA1CA2CA9
SCHEMBL852513 0.75 GAA (0.50) NPSR1GAAVCPMEN1KMT2A
SCHEMBL5769172 0.74 NPSR1 (0.64) NPSR1CA12CA1CA2CA9
SCHEMBL6768182 0.74 MAPT (0.44) NPSR1GAAMEN1KMT2AALDH1A1
SCHEMBL11636289 0.72 NPSR1 (1.00) NPSR1VCPMEN1KMT2AALDH1A1
SCHEMBL3214071 0.72 GAA (0.62) NPSR1GAAVCPMEN1KMT2A
SCHEMBL7640908 0.72 MEN1 (0.49) NPSR1GAAVCPMEN1KMT2A

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-6784167-B2 TREATING OSTEOPOROSIS, OSTEOPENIA, OVARIAN CANCER, BREAST CANCER, ENDOMETRIAL CANCER, ENDOMETRIOSIS, PROSTATE CANCER, ACNE, ANDROGEN-DEPENDENT HAIR LOSS, NON-INSULIN-DEPENDENT DIABETES MELLITUS, OR HYPERCHOLESTEROLEMIA. BAYER PHARMACEUTICALS CORPORATION 2004-08-31 US disclosed
EP-1326829-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS Bayer Pharmaceuticals Corporation (US) 2003-07-16 EP disclosed
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US disclosed
WO-2002026706-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2002-04-04 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-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors HSD3B1, HSD3B2, HSD17B1 NPSR1 2254/4885GAA 860/4885VCP 3952/4885

“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.