SCHEMBL5638546

SCHEMBL5638546

COC(=O)C[C@@H]1C[C@H]1CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ GAA P10253 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ EGFR P00533 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL5638542 1.00 TSHR (0.46) TSHRGAAHSD17B10MGAMSI
SCHEMBL14499820 1.00 TSHR (0.46) TSHRGAAHSD17B10MGAMSI
SCHEMBL18257698 0.91 TSHR (0.39) TSHRGAAHSD17B10MGAMSI
SCHEMBL5639358 0.91 SLC6A12 (0.46) TSHRGAAHSD17B10MGAMSI
SCHEMBL14499819 0.91 SLC6A12 (0.46) TSHRGAAHSD17B10MGAMSI
SCHEMBL5639352 0.91 SLC6A12 (0.46) TSHRGAAHSD17B10MGAMSI
SCHEMBL528624 0.89 TSHR (0.44) TSHRGAAHSD17B10MGAMSI
SCHEMBL5640897 0.87 TSHR (0.36) TSHRGAAHSD17B10MGAMSI
SCHEMBL12674588 0.87 ALOX5 (0.38) TSHRGAAHSD17B10MGAMSI
SCHEMBL5640893 0.87 TSHR (0.36) TSHRGAAHSD17B10MGAMSI

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-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 — — US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 — — EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 — — 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R TSHR 195/4885GAA 117/4885HSD17B10 216/4885

“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.

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