SCHEMBL5638015

SCHEMBL5638015

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.37
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ EPHX2 P34913 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ BBOX1 O75936 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ KDM8 Q8N371 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ HIF1AN Q9NWT6 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL5639370 0.83 L3MBTL1 (0.41) TDP1
SCHEMBL5639442 0.82 KMT2A (0.41) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL5639223 0.79 MMP1 (0.42) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL5638859 0.79 KMT2A (0.38) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL5637714 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5637718 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5637432 0.76 HTT (0.50) DPP4CYP3A4TSHRALDH1A1LMNA
SCHEMBL5638521 0.75 HTT (0.53) TSHRALDH1A1LMNA
SCHEMBL5636865 0.75 HTT (0.49) DPP4TSHRALDH1A1LMNA
SCHEMBL5639089 0.75 DPP4 (0.40) DPP4CYP3A4TSHRTDP1MAPT

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 DPP4 2886/4885CYP3A4 662/4885TSHR 667/4885

“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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