SCHEMBL5637475

SCHEMBL5637475

O=C(O)N[C@H]1CCCCN(C(=O)COc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CPT1A P50416 5/20 0.44
▸ CPT2 P23786 3/20 0.44

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
SCHEMBL5640756 0.86 KDM4E (0.49) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL5640744 0.86 KDM4E (0.49) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL14515747 0.86 KDM4E (0.45) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL5640381 0.81 ALDH1A1 (0.50) KDM4EALDH1A1
SCHEMBL6229273 0.81 GAA (0.56) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL5637768 0.81 KDM4E (0.54) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL5637813 0.78 RAB9A (0.48) KDM4EGAAALDH1A1NPC1MAPT
SCHEMBL5638525 0.77 ALDH1A1 (0.64) KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5638471 0.75 KDM4E (0.52) KDM4E
SCHEMBL5639681 0.74 HPGD (0.38) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 — — EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 — — 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 KDM4E 3993/4885GAA 4333/4885ALDH1A1 1286/4885

“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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