SCHEMBL25583132

SCHEMBL25583132

COC(=O)c1ccc(NCc2ccc(OC)cc2OC)nc1N(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.49
▸ CYP3A4 P08684 15/20 0.49
▸ CYP2C19 P33261 13/20 0.49
▸ TSHR P16473 12/20 0.49
▸ USP2 O75604 9/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4C Q9H3R0 1/20 0.46
▸ CYP2D6 P10635 13/20 0.46
▸ LMNA P02545 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CLK4 Q9HAZ1 7/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP2C9 P11712 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ALOX15 P16050 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GLA P06280 2/20 0.43
▸ APLNR P35414 1/20 0.42

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
SCHEMBL30273296 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL23981519 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30397014 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL23981521 0.80 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30396968 0.77 PDE4B (0.47) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL25254910 0.77 PDE4B (0.47) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL23981856 0.76 PDE4B (0.47) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30367939 0.76 PDE4B (0.47) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30396601 0.76 PDE4B (0.47) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL16343595 0.75 MAPT (0.56) CYP1A2CYP3A4CYP2C19TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 — — 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-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 CYP1A2 3826/4885CYP3A4 3711/4885CYP2C19 3635/4885

“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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