SCHEMBL18549833

SCHEMBL18549833

CCOC(=O)C(C)CN1CCc2nc(Cl)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 9/20 0.42
▸ CD274 Q9NZQ7 9/20 0.42
▸ ABHD6 Q9BV23 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 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
SCHEMBL31396702 0.83 CD274 (0.57) PDCD1CD274ABHD6KMT2AMAPT
SCHEMBL18288835 0.81 CDK1 (0.41) PDCD1CD274ABHD6KMT2ADRD2
SCHEMBL18288906 0.77 PNMT (0.49) KMT2ARAB9AMAPTLMNATP53
SCHEMBL18550300 0.74 S1PR5 (0.43) PDCD1CD274KMT2AS1PR1S1PR3
SCHEMBL30989180 0.73 PDCD1 (0.44) PDCD1CD274ABHD6KMT2ADRD2
SCHEMBL18550119 0.71 S1PR5 (0.56) S1PR1S1PR3S1PR5LMNAPRMT5
SCHEMBL18549975 0.71 PDCD1 (0.44) PDCD1CD274ABHD6KMT2ADRD2
SCHEMBL22544433 0.71 NPC1 (0.48) ABHD6RAB9AMAPTLMNA
SCHEMBL21451836 0.71 CD274 (0.54) PDCD1CD274KMT2AMAPTLMNA
SCHEMBL18550471 0.70 MAPT (0.41) PDCD1CD274MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
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
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US 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 3703/4885ABHD6 2084/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 PDCD1 3254/4885CD274 3703/4885ABHD6 2084/4885

“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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