SCHEMBL6772031

SCHEMBL6772031

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
HSD17B2 P37059 1/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6771317 1.00 CYP19A1 (0.41) CYP19A1HSD17B2CYP1A2LMNACYP3A4
SCHEMBL6771313 1.00 CYP19A1 (0.41) CYP19A1HSD17B2CYP1A2LMNACYP3A4
SCHEMBL6767977 0.88 KDM4E (0.43) HSD17B2CYP1A2LMNASMN1; SMN2CYP2D6
SCHEMBL6767974 0.88 KDM4E (0.43) HSD17B2CYP1A2LMNASMN1; SMN2CYP2D6
SCHEMBL6773138 0.87 SLC6A4 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6773142 0.87 SLC6A4 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6768953 0.87 MEN1 (0.48) HSD17B2LMNASMN1; SMN2HTTMEN1
SCHEMBL6768951 0.87 MEN1 (0.48) HSD17B2LMNASMN1; SMN2HTTMEN1
SCHEMBL6771299 0.86 ALDH1A1 (0.47) HSD17B2LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL6771297 0.86 ALDH1A1 (0.47) HSD17B2LMNAHPGDSMN1; SMN2NPSR1

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 2 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
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US 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 CYP19A1 33/4885HSD17B2 4/4885CYP1A2 39/4885

“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.