SCHEMBL18550251

SCHEMBL18550251

CC(CC(=O)O)CN1CCc2nc(-c3ccc(OCc4c(F)cccc4F)cc3F)ncc2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 3/20 0.48
▸ S1PR5 Q9H228 9/20 0.40
▸ S1PR3 Q99500 4/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ S1PR1 P21453 4/20 0.40
▸ PRMT5 O14744 4/20 0.39
▸ WDR77 Q9BQA1 4/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL18550288 0.96 KCNJ1 (0.45) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550448 0.94 KCNJ1 (0.48) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550248 0.92 S1PR5 (0.48) KCNJ1S1PR5S1PR3KCNH2S1PR1
Trifluoroacetic Acid SCHEMBL18550431 0.91 KCNJ1 (0.46) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550478 0.90 KCNJ1 (0.46) KCNJ1S1PR5S1PR3S1PR1POLB
SCHEMBL18550377 0.89 KCNJ1 (0.47) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550358 0.89 KCNJ1 (0.47) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550264 0.89 KCNJ1 (0.46) KCNJ1S1PR5S1PR3KCNH2S1PR1
Trifluoroacetic Acid SCHEMBL18550459 0.89 S1PR5 (0.45) KCNJ1S1PR5S1PR3KCNH2S1PR1
SCHEMBL18550106 0.89 KCNJ1 (0.45) KCNJ1S1PR5S1PR3KCNH2S1PR1

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 8 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
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-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 KCNJ1 2354/4885S1PR5 4/4885S1PR3 3/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 KCNJ1 2354/4885S1PR5 4/4885S1PR3 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.

Send feedback