SCHEMBL18550471

SCHEMBL18550471

CCOC(=O)CC(C)CN1CCc2nc(Cl)ncc2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 5/20 0.39
▸ TP53 P04637 3/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ HSP90AB1 P08238 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
SCHEMBL18563780 0.89 HSP90AA1 (0.43) MAPTLMNATP53PDCD1CD274
SCHEMBL18549994 0.85 PDCD1 (0.49) MAPTLMNATP53PDCD1CD274
SCHEMBL18550451 0.83 S1PR1 (0.43) MAPTLMNATP53POLBHSP90AB1
SCHEMBL18549879 0.82 KCNJ1 (0.39) MAPTLMNATP53PDCD1CD274
SCHEMBL18586926 0.82 S1PR1 (0.39) MAPTLMNATP53PDCD1CD274
SCHEMBL18586924 0.82 S1PR1 (0.39) MAPTLMNATP53PDCD1CD274
SCHEMBL18549890 0.81 PDCD1 (0.47) MAPTLMNATP53PDCD1CD274
SCHEMBL18550284 0.80 S1PR5 (0.52) MAPTPOLBHSP90AB1
SCHEMBL18549956 0.80 KCNJ1 (0.41) MAPTLMNATP53POLBHSP90AA1
SCHEMBL18550151 0.80 S1PR5 (0.41) MAPTLMNATP53POLB

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 5 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
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 MAPT 3696/4885LMNA 2307/4885TP53 3481/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 MAPT 3696/4885LMNA 2307/4885TP53 3481/4885

“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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