SCHEMBL18550468

SCHEMBL18550468

O=C(O)CCN1CCc2nc(-c3ccc(OCc4cccc(F)c4)cc3)ncc2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
FFAR1 O14842 1/20 0.47
NR4A2 P43354 1/20 0.46
MAOB P27338 3/20 0.43
PARP10 Q53GL7 1/20 0.43
ALKBH1 Q13686 1/20 0.42

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
SCHEMBL18549838 0.91 NR4A2 (0.47) S1PR5FFAR1NR4A2MAOBPARP10
SCHEMBL18550060 0.90 S1PR5 (0.58) S1PR5S1PR1S1PR3FFAR1MAOB
SCHEMBL18550365 0.90 S1PR5 (0.49) S1PR5S1PR1S1PR3FFAR1NR4A2
SCHEMBL18549882 0.89 FFAR1 (0.51) S1PR5S1PR1S1PR3FFAR1NR4A2
SCHEMBL18550335 0.89 S1PR5 (0.47) S1PR5S1PR1S1PR3FFAR1
SCHEMBL18549934 0.89 S1PR5 (0.47) S1PR5S1PR1S1PR3FFAR1ALKBH1
SCHEMBL18550132 0.89 S1PR5 (0.52) S1PR5S1PR1S1PR3FFAR1MAOB
SCHEMBL18550008 0.89 S1PR5 (0.42) S1PR5S1PR1S1PR3FFAR1NR4A2
SCHEMBL18550156 0.89 S1PR5 (0.47) S1PR5S1PR1S1PR3
SCHEMBL18549904 0.87 S1PR5 (0.50) S1PR5S1PR1S1PR3FFAR1NR4A2

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 12 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 claimed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP claimed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO claimed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US claimed
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
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 S1PR5 4/4885S1PR1 1/4885S1PR3 3/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 S1PR5 4/4885S1PR1 1/4885S1PR3 3/4885

“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.