SCHEMBL5523708

SCHEMBL5523708

Cc1c(O)ccc2c1CCN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ DRD2 P14416 4/20 0.33
▸ DRD1 P21728 4/20 0.33
▸ DRD3 P35462 4/20 0.33
▸ DRD5 P21918 3/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC22A8 Q8TCC7 3/20 0.32
▸ SLC22A6 Q4U2R8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13957836 0.79 DRD2 (0.33) DRD2DRD1DRD3DRD5DRD4
SCHEMBL9917020 0.77 NOTUM (0.33) ALDH1A1GAAHPGDNOTUM
SCHEMBL94532 0.74 DRD2 (0.46) DRD2DRD1DRD3DRD5NOTUM
SCHEMBL17462481 0.73 DRD2 (0.51) DRD2DRD1DRD3DRD5DRD4
SCHEMBL17809615 0.71 BRD4 (0.38) —
SCHEMBL2095934 0.71 ALDH1A1 (0.41) DRD2KDM4EALDH1A1GAAHPGD
SCHEMBL2625783 0.69 NOTUM (0.40) DRD2DRD1DRD3DRD5DRD4
SCHEMBL256749 0.68 NOTUM (0.56) DRD2DRD4KDM4EALDH1A1GAA
SCHEMBL2625773 0.67 NOTUM (0.57) DRD2DRD3HTR2ANOTUM
SCHEMBL12363743 0.67 AKT1 (0.36) ALDH1A1GAAHPGDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 — — EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 — — WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 — — 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B ESR1 49/4885ESR2 69/4885DRD2 137/4885

“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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