SCHEMBL18550375

SCHEMBL18550375

O=C(O)CCN1CCc2nc(-c3ccc(OCc4ccccc4)cc3)cnc2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.61
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 3/20 0.49
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
EGFR P00533 3/20 0.45
WDR5 P61964 1/20 0.44
MCL1 Q07820 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 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
SCHEMBL18550364 0.96 S1PR5 (0.59) S1PR5S1PR1S1PR3GABRA1GABRB2
SCHEMBL18550250 0.92 S1PR5 (0.52) S1PR5S1PR1S1PR3FFAR1FFAR4
SCHEMBL18550004 0.90 S1PR5 (0.51) S1PR5S1PR1S1PR3
SCHEMBL18550416 0.88 S1PR5 (0.51) S1PR5S1PR1S1PR3GABRA1GABRB2
SCHEMBL18549928 0.88 S1PR5 (0.50) S1PR5S1PR1S1PR3GABRA1GABRB2
SCHEMBL18550073 0.86 S1PR5 (0.49) S1PR5S1PR1S1PR3
SCHEMBL18549905 0.86 S1PR5 (0.57) S1PR5S1PR1S1PR3GABRA1GABRB2
SCHEMBL18549790 0.85 S1PR5 (0.49) S1PR5S1PR1S1PR3GABRA1GABRB2
SCHEMBL18550060 0.83 S1PR5 (0.58) S1PR5S1PR1S1PR3EGFRFFAR1
SCHEMBL18550279 0.83 S1PR5 (0.56) S1PR5S1PR1S1PR3GABRA1GABRB2

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 11 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
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.