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SCHEMBL2565219

SCHEMBL2565219

CCOC(=O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(C)nc(Br)c4)n3)cc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.59
▸ S1PR4 O95977 1/20 0.54
▸ S1PR5 Q9H228 1/20 0.54
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL2567819 0.91 S1PR1 (0.58) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2567689 0.90 S1PR1 (0.62) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2561593 0.90 S1PR1 (0.72) S1PR1S1PR4S1PR5
SCHEMBL2561598 0.88 S1PR1 (0.59) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2562912 0.87 S1PR1 (0.56) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2562337 0.87 S1PR1 (0.58) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2564292 0.86 S1PR1 (0.70) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2566328 0.86 S1PR1 (0.59) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2563713 0.86 S1PR1 (0.58) S1PR1S1PR4S1PR5KMT2AMAPT
SCHEMBL2567601 0.86 S1PR1 (0.73) S1PR1S1PR4S1PR5CYP11B1CYP11B2

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
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 — — EP disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 — — US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 — — EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 — — WO 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 (1 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 5/4885S1PR5 4/4885

“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.