SCHEMBL19851801

SCHEMBL19851801

CCc1c(C(C)C)cnc(C)c1CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 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
SCHEMBL22697046 0.85 NOS3 (0.31) NOS3NOS2
SCHEMBL23263703 0.83 — —
SCHEMBL22859282 0.79 — —
SCHEMBL15417377 0.71 DHFR (0.33) NOS3NOS2KDM4EGABRA1
SCHEMBL23263919 0.69 — —
SCHEMBL27286751 0.69 SLC6A2 (0.35) —
SCHEMBL21279417 0.68 CCR1 (0.38) NOS3NOS2KDM4EALDH1A1HPGD
SCHEMBL23264082 0.68 GCGR (0.37) NOS3NOS2
SCHEMBL26790965 0.68 P2RX3 (0.30) —
SCHEMBL26496279 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 — — US disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 — — 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 (2 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-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NOS3 3775/4885NOS2 3207/4885KDM4E 1982/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NOS3 3775/4885NOS2 3207/4885KDM4E 1982/4885

“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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