SCHEMBL6773142

SCHEMBL6773142

CCOC(=O)[C@H]1[C@@H](c2ccc(I)cc2)CC(=O)N1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.41
SLC6A3 Q01959 10/20 0.41
SLC6A2 P23975 8/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6773138 1.00 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL6767977 0.88 KDM4E (0.43) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6767974 0.88 KDM4E (0.43) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6771313 0.87 CYP19A1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6772031 0.87 CYP19A1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6771317 0.87 CYP19A1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6768953 0.87 MEN1 (0.48) HTT
SCHEMBL6768951 0.87 MEN1 (0.48) HTT
SCHEMBL6771299 0.86 ALDH1A1 (0.47) CYP2C19
SCHEMBL6771297 0.86 ALDH1A1 (0.47) CYP2C19

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 SLC6A4 1003/4885SLC6A3 1875/4885SLC6A2 1330/4885

“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.