SCHEMBL18549972

SCHEMBL18549972

CCOC(=O)CN1CCc2nc(-c3ccc(O)cc3)ncc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.43
▸ PDCD1 Q15116 3/20 0.43
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MIF P14174 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KCNJ1 P48048 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL18549879 0.86 KCNJ1 (0.39) CD274PDCD1MAPTNPSR1MIF
SCHEMBL18550243 0.80 PDCD1 (0.47) CD274PDCD1MAPTNPSR1ALDH1A1
SCHEMBL18549994 0.80 PDCD1 (0.49) CD274PDCD1MAPTLMNASMN1; SMN2
SCHEMBL18550184 0.80 LMNA (0.43) MAPTKCNJ1KCNH2LMNA
SCHEMBL18550394 0.79 MAPT (0.39) CD274PDCD1MAPTALDH1A1KCNJ1
SCHEMBL28745128 0.78 S1PR5 (0.48) MAPTKCNJ1KCNH2LMNA
SCHEMBL21451836 0.76 CD274 (0.54) CD274PDCD1MAPTALDH1A1MAPK1
SCHEMBL18549956 0.76 KCNJ1 (0.41) MAPTKCNJ1KCNH2LMNA
SCHEMBL18550151 0.76 S1PR5 (0.41) MAPTKCNJ1KCNH2LMNA
SCHEMBL18550362 0.76 S1PR5 (0.51) L3MBTL1LMNA

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 CD274 3703/4885PDCD1 3254/4885MAPT 3696/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 CD274 3703/4885PDCD1 3254/4885MAPT 3696/4885

“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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