SCHEMBL15635404

SCHEMBL15635404

O=C(O)[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 4/20 0.68
▸ KDM4E B2RXH2 5/20 0.65
▸ ALDH1A1 P00352 4/20 0.58
▸ S1PR5 Q9H228 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ FAAH O00519 1/20 0.55
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL15634802 1.00 CCR8 (0.68) CCR8KDM4EALDH1A1S1PR5LMNA
SCHEMBL17104843 0.99 CCR8 (0.67) CCR8KDM4EALDH1A1S1PR5LMNA
SCHEMBL17048485 0.92 CCR8 (0.65) CCR8KDM4EALDH1A1S1PR5TDP1
SCHEMBL17099425 0.92 CCR8 (0.59) CCR8KDM4EALDH1A1S1PR5LMNA
SCHEMBL17099412 0.92 CCR8 (0.62) CCR8KDM4EALDH1A1S1PR5FAAH
SCHEMBL17099387 0.91 CCR8 (0.63) CCR8KDM4EALDH1A1S1PR5MAPT
SCHEMBL17099393 0.91 CCR8 (0.57) CCR8KDM4EALDH1A1S1PR5HPGD
SCHEMBL17099350 0.91 KDM4E (0.62) CCR8KDM4EALDH1A1FAAHMAPT
SCHEMBL17099422 0.90 CCR8 (0.62) CCR8KDM4EALDH1A1S1PR5MAPT
SCHEMBL17104844 0.89 CCR8 (0.64) CCR8KDM4EALDH1A1LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 — — US disclosed
EP-2903966-A1 PYRROLIDINES Merck Patent GmbH (DE) 2015-08-12 — — EP disclosed
WO-2014053210-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2014-04-10 — — 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-20150274657-A1 PYRROLIDINES NR4A3, NR0B1, NR0B2 CCR8 1120/4885KDM4E 2503/4885ALDH1A1 2933/4885

“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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