SCHEMBL5638224

SCHEMBL5638224

CCCNC(=O)N1CCCC[C@H](N[C]=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL5638407 0.93 L3MBTL1 (0.38) HTT
SCHEMBL5637714 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5637564 0.84 ASAH1 (0.37) KDM4EEPHX1HTTKMT2AMEN1
SCHEMBL5639334 0.83 ALDH1A1 (0.39) LMNAALDH1A1KDM4EEPHX1CYP2C19
SCHEMBL5637024 0.82 POLB (0.35) ALDH1A1POLB
SCHEMBL5637705 0.82 POLB (0.35) ALDH1A1POLB
SCHEMBL5636578 0.82 FAAH (0.38) ALDH1A1KDM4EIDH1KMT2AMEN1
SCHEMBL5638230 0.82 LMNA (0.38) LMNAALDH1A1KDM4EEPHX1CYP2C19
SCHEMBL5639566 0.81 HCRTR2 (0.31) —
SCHEMBL5638785 0.80 NPY1R (0.33) ALDH1A1CYP2C19KMT2AMEN1CYP2C9

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 LMNA 4340/4885ALDH1A1 1286/4885KDM4E 3993/4885

“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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