SCHEMBL18549879

SCHEMBL18549879

CCOC(=O)CC(C)CN1CCc2nc(-c3ccc(O)cc3)ncc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ S1PR5 Q9H228 3/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ MIF P14174 1/20 0.35

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
SCHEMBL18549956 0.89 KCNJ1 (0.41) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18550151 0.89 S1PR5 (0.41) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18550362 0.89 S1PR5 (0.51) LMNAS1PR5S1PR1S1PR3
SCHEMBL18550451 0.89 S1PR1 (0.43) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18586926 0.88 S1PR1 (0.39) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18586924 0.88 S1PR1 (0.39) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18550284 0.87 S1PR5 (0.52) MAPTS1PR5POLBS1PR1S1PR3
SCHEMBL18549972 0.86 CD274 (0.43) KCNJ1KCNH2MAPTLMNANPSR1
SCHEMBL18550238 0.86 KCNJ1 (0.50) KCNJ1KCNH2MAPTLMNATP53
SCHEMBL18586476 0.86 FFAR1 (0.39) KCNJ1KCNH2NPSR1

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 4 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 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 KCNJ1 2354/4885KCNH2 2462/4885MAPT 3696/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 KCNJ1 2354/4885KCNH2 2462/4885MAPT 3696/4885

“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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