SCHEMBL6771119

SCHEMBL6771119

CN1C(=O)C[C@H](c2ccccc2)[C@@H]1C(=O)c1cccc(C[C@H]2COC(=O)N2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 13/20 0.45
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
HTR2A P28223 2/20 0.37
HTR1F P30939 1/20 0.35
SCN9A Q15858 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL6768415 0.88 HSD17B2 (0.39) HSD17B2HTR1AHTR1DHTR1BHTR2A
SCHEMBL8744100 0.76 HSD17B2 (0.52) HSD17B2
SCHEMBL28591882 0.75 HTR1D (0.44) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL4329 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL7643497 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL16106155 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL137215 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL7643502 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL4328 0.69 HTR1D (0.45) HTR1AHTR1DHTR1BHTR2AHTR1F
SCHEMBL7291301 0.68 HTR1D (0.44) HTR1AHTR1DHTR1BHTR2AHTR1F

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 HSD17B2 4/4885HTR1A 462/4885HTR1D 349/4885

“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.