SCHEMBL18550305

SCHEMBL18550305

CC(CC(=O)O)CN1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3F)ncc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 7/20 0.52
▸ S1PR1 P21453 5/20 0.52
▸ S1PR3 Q99500 3/20 0.50
▸ KCNJ1 P48048 3/20 0.45
▸ FFAR1 O14842 3/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ POLB P06746 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
SCHEMBL18550264 0.94 KCNJ1 (0.46) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550481 0.93 KCNJ1 (0.47) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550381 0.93 FFAR1 (0.45) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550106 0.92 KCNJ1 (0.45) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550479 0.91 KCNJ1 (0.44) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550325 0.91 S1PR5 (0.50) S1PR5S1PR1S1PR3KCNJ1FFAR1
Trifluoroacetic Acid SCHEMBL18550110 0.90 KCNJ1 (0.44) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550374 0.90 KCNJ1 (0.47) S1PR5S1PR1S1PR3KCNJ1FFAR1
SCHEMBL18550276 0.90 KCNJ1 (0.48) S1PR5S1PR1S1PR3KCNJ1FFAR1
Trifluoroacetic Acid SCHEMBL18549980 0.90 KCNJ1 (0.45) S1PR5S1PR1S1PR3KCNJ1FFAR1

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 10 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 claimed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US 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.

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