SCHEMBL4989528

SCHEMBL4989528

Fc1cccc2c1ccn2C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.42
▸ IDO1 P14902 1/20 0.39
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HPGD P15428 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ C5AR1 P21730 3/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL27268516 0.81 SCD (0.47) SCDHTR2AHTR2CPRMT5DHODH
SCHEMBL4993507 0.78 DRD2 (0.49) SCDHTR2AHPGDGAAKDM4E
SCHEMBL15520368 0.77 SCD (0.47) SCDHTR2AHTR2CKDM4EALDH1A1
SCHEMBL27266898 0.77 SCD (0.47) SCDHTR2AHTR2CKDM4EALDH1A1
SCHEMBL27266660 0.75 SCD (0.44) SCDIDO1HTR2AHTR2CKDM4E
SCHEMBL30962041 0.75 SCD (0.44) SCDIDO1HTR2AHTR2CKDM4E
SCHEMBL30962036 0.75 SCD (0.44) SCDIDO1HTR2AHTR2CKDM4E
SCHEMBL25766272 0.72 SCD (0.46) SCDHTR2AHTR2CPRMT5
SCHEMBL24109872 0.69 SCD (0.41) SCDHTR2AHTR2CPRMT5
SCHEMBL566179 0.69 SMN1; SMN2 (0.36) HTR2AHTR2CHPGDGAAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 — — US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 — — EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 — — US disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 — — EP disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 — — 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 SCD 3437/4885IDO1 3572/4885HTR2A 4447/4885

“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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