SCHEMBL6768415

SCHEMBL6768415

CN1C(=O)C[C@H](c2ccccc2F)[C@@H]1C(=O)c1cccc(C[C@H]2COC(=O)N2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 7/20 0.39
HTR1D P28221 6/20 0.35
HTR1B P28222 6/20 0.35
HTR1A P08908 3/20 0.35
HTR1F P30939 1/20 0.35
DPP4 P27487 1/20 0.35
HTR2A P28223 2/20 0.34
KMT2A Q03164 2/20 0.33
ADRA1A P35348 1/20 0.33
MEN1 O00255 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6771119 0.88 HSD17B2 (0.45) HSD17B2HTR1DHTR1BHTR1AHTR1F
SCHEMBL28591882 0.72 HTR1D (0.44) HTR1DHTR1BHTR1AHTR1FHTR2A
SCHEMBL7086654 0.70 HSD17B2 (0.46) HSD17B2ALDH1A1GAATSHR
SCHEMBL6768409 0.69 HSD17B2 (0.42) HSD17B2ALDH1A1GAATSHR
SCHEMBL6772387 0.69 HSD17B2 (0.42) HSD17B2ALDH1A1GAATSHR
SCHEMBL7099852 0.66 HTR1D (0.39) HTR1DHTR1BHTR1AHTR1FHTR2A
SCHEMBL7100858 0.66 HTR1D (0.39) HTR1DHTR1BHTR1AHTR1FHTR2A
SCHEMBL22960812 0.65 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FHTR2A
SCHEMBL7643502 0.65 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1FHTR2A
SCHEMBL4329 0.65 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1FHTR2A

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 4/4885HTR1D 349/4885HTR1B 389/4885

“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.