SCHEMBL18550446

SCHEMBL18550446

COC(=O)CC(C)CN1CCc2nc(-c3ccc(CCc4ccc(Cl)cc4)cc3)ncc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.44
▸ S1PR3 Q99500 2/20 0.44
▸ S1PR5 Q9H228 2/20 0.44
▸ HSP90AB1 P08238 1/20 0.42
▸ LMNA P02545 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ KCNJ1 P48048 2/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL18550447 1.00 S1PR1 (0.44) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18550128 0.93 S1PR5 (0.53) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18550126 0.93 S1PR5 (0.53) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18550451 0.91 S1PR1 (0.43) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18549808 0.90 S1PR5 (0.46) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18550295 0.90 S1PR5 (0.46) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18549807 0.90 S1PR5 (0.46) S1PR1S1PR3S1PR5HSP90AB1LMNA
SCHEMBL18550244 0.86 MAPK1 (0.42) S1PR1S1PR3S1PR5HSP90AB1MAPK1
SCHEMBL18550242 0.86 MAPK1 (0.42) S1PR1S1PR3S1PR5HSP90AB1MAPK1
SCHEMBL18550284 0.85 S1PR5 (0.52) S1PR1S1PR3S1PR5HSP90AB1MAPT

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 S1PR1 1/4885S1PR3 3/4885S1PR5 4/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 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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