SCHEMBL6772023

SCHEMBL6772023

CCOC(=O)CN(C)C(=O)C#Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL6772787 0.84 NPSR1 (0.55) MAPTKMT2ANPSR1CA12CA1
SCHEMBL6771470 0.84 FFAR1 (0.44) GRM5MAPTKMT2ACA12CA1
SCHEMBL6828449 0.79 GRM5 (0.53) GRM5CYP3A4MAPTLMNACA12
SCHEMBL6768178 0.78 CA12 (0.40) GRM5CYP3A4MAPTKMT2ANPSR1
SCHEMBL8151045 0.73 ACACB (0.52) GRM5CYP3A4MAPTLMNAPOLB
SCHEMBL30880030 0.72 MAPT (0.44) MAPTLMNAPOLBKMT2ANPC1
SCHEMBL8022201 0.70 GRM5 (0.44) GRM5NPSR1GFER
SCHEMBL26343014 0.70 GFER (0.46) GRM5CYP3A4GFER
SCHEMBL2485584 0.68 MAOB (0.58) MAPTLMNANPSR1NPC1
SCHEMBL1751529 0.68 GFER (0.50) GRM5CA12CA1CA2CA9

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 GRM5 3023/4885CYP3A4 73/4885MAPT 3975/4885

“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.