SCHEMBL18550072

SCHEMBL18550072

CCOC(=O)C(C)N1CCc2nc(Cl)ncc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.51
▸ CD274 Q9NZQ7 2/20 0.51
▸ HSP90AA1 P07900 10/20 0.40
▸ HSP90B1 P14625 7/20 0.40
▸ HSP90AB1 P08238 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ OGA O60502 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL18549775 0.84 PDCD1 (0.39) PDCD1CD274HSP90AA1HSP90B1HSP90AB1
SCHEMBL18550243 0.81 PDCD1 (0.47) PDCD1CD274HSP90AA1HSP90B1OGA
SCHEMBL18549994 0.78 PDCD1 (0.49) PDCD1CD274HSP90AA1HSP90B1HSP90AB1
SCHEMBL18550471 0.77 MAPT (0.41) PDCD1CD274HSP90AA1HSP90B1HSP90AB1
SCHEMBL18549890 0.74 PDCD1 (0.47) PDCD1CD274HSP90AA1HSP90AB1LMNA
SCHEMBL18550227 0.73 PDCD1 (0.45) PDCD1CD274ALDH1A1LMNA
SCHEMBL18549803 0.73 PDCD1 (0.38) PDCD1CD274HSP90AA1HSP90B1HSP90AB1
SCHEMBL18616903 0.72 MAPT (0.46) HSP90AA1HSP90B1HSP90AB1MAPT
SCHEMBL30405378 0.71 HSP90AA1 (0.48) HSP90AA1HSP90B1HSP90AB1LMNAMAPT
SCHEMBL28956067 0.71 ENPP2 (0.55) HSP90AA1HSP90B1HSP90AB1OGAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 — — EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 — — WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885HSP90AA1 2959/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885HSP90AA1 2959/4885

“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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