SCHEMBL12778339

SCHEMBL12778339

CC(C)CNCc1cnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ IDO1 P14902 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL21290462 0.82 HRH4 (0.45) HRH4HRH3ALDH1A1CYP1A2CYP2C19
SCHEMBL13210035 0.74 — —
SCHEMBL17310768 0.74 — —
SCHEMBL15367992 0.71 CYP1A2 (0.34) CYP1A2CYP2C19
SCHEMBL2576444 0.71 — —
SCHEMBL21870638 0.70 USP2 (0.41) HRH4HRH3IDO1ALDH1A1CYP1A2
SCHEMBL1998851 0.69 — —
SCHEMBL1998849 0.67 — —
SCHEMBL17252910 0.67 NPSR1 (0.42) ALDH1A1
SCHEMBL21290780 0.64 HRH4 (0.41) HRH4HRH3ALDH1A1CYP2C19

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-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 — — WO disclosed
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 — — 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-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING OXER1, ALOX12, CYP1A1 HRH4 175/4885HRH3 318/4885IDO1 199/4885

“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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