SCHEMBL3566159

SCHEMBL3566159

COC(=O)CCCn1cc(CCC(=O)OC)c2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ MCL1 Q07820 4/20 0.39
▸ REN P00797 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ICMT O60725 1/20 0.37
▸ IL1B P01584 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ GAA P10253 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
SCHEMBL3562254 0.83 GAA (0.49) CNR2CNR1GAA
SCHEMBL3561211 0.79 MEN1 (0.41) CNR2CNR1CYSLTR2CYSLTR1
SCHEMBL3561208 0.79 MEN1 (0.41) CNR2CNR1CYSLTR2CYSLTR1
SCHEMBL13131417 0.74 REN (0.45) CNR2CNR1HTR2AHTR2CHTR2B
SCHEMBL27774971 0.73 CNR1 (0.41) CNR2CNR1MCL1RENICMT
SCHEMBL16264965 0.73 CDC25A (0.57) CNR2CNR1ICMTGAA
SCHEMBL318745 0.72 CNR1 (0.53) CNR2CNR1MCL1ICMTGAA
SCHEMBL15322768 0.71 HTR2C (0.59) HTR2AHTR2CHTR2B
SCHEMBL10248359 0.71 CNR1 (0.51) CNR2CNR1MCL1RENICMT
SCHEMBL20120027 0.70 CMA1 (0.47) HTR2AHTR2CHTR2B

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-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 — — EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 — — US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 CNR2 283/4885CNR1 317/4885HTR2A 454/4885

“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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