SCHEMBL18550227

SCHEMBL18550227

CCOC(=O)C(C)N1CCc2nc(-c3ccc(OCc4cc(F)cc(F)c4)cc3)ncc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45
▸ S1PR5 Q9H228 5/20 0.41
▸ S1PR1 P21453 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL18550405 0.91 S1PR5 (0.44) PDCD1CD274S1PR5S1PR1MAOB
SCHEMBL18549818 0.89 S1PR5 (0.50) PDCD1CD274S1PR5S1PR1NPSR1
SCHEMBL18550243 0.85 PDCD1 (0.47) PDCD1CD274NPSR1ALDH1A1LMNA
SCHEMBL18550384 0.83 S1PR5 (0.48) S1PR5S1PR1MAOBS1PR3
SCHEMBL18550315 0.81 S1PR5 (0.47) S1PR5S1PR1S1PR3LMNATP53
SCHEMBL18550195 0.81 S1PR5 (0.56) S1PR5S1PR1MAOBS1PR3LMNA
SCHEMBL18550312 0.80 S1PR5 (0.47) PDCD1CD274S1PR5S1PR1NPSR1
SCHEMBL18550433 0.80 S1PR5 (0.53) PDCD1CD274S1PR5S1PR1MAOB
SCHEMBL18549883 0.79 ITGB3 (0.46) PDCD1CD274S1PR5S1PR1S1PR3
SCHEMBL18549885 0.79 S1PR5 (0.59) S1PR5S1PR1MAOBS1PR3

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 3703/4885S1PR5 4/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885S1PR5 4/4885

“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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