SCHEMBL5637709

SCHEMBL5637709

CNC(=O)N1CCCC[C@@H](NC=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
XIAP P98170 3/20 0.32
PDE4B Q07343 1/20 0.32
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ADH4 P08319 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
SCHEMBL5637029 1.00 POLB (0.35) POLBXIAPPDE4BADH1BADH1C
SCHEMBL5638791 0.86 XIAP (0.33) XIAPPDE4B
SCHEMBL5637448 0.85 ADH1B (0.33) XIAPADH1BADH1CADH1AADH7
SCHEMBL5639094 0.85 LMNA (0.36) ALDH1A1
SCHEMBL5640633 0.84 HTT (0.45) POLBADH1BADH1CADH1AADH7
SCHEMBL5640787 0.84 HTT (0.41) POLBADH1BADH1CADH1AADH7
SCHEMBL5640082 0.84 ADH1B (0.31) ADH1BADH1CADH1AADH7ADH4
SCHEMBL5638198 0.83 HTT (0.44) POLBADH1BADH1CADH1AADH7
SCHEMBL5638050 0.83 HTT (0.47) POLBADH1BADH1CADH1AADH7
SCHEMBL5638230 0.82 LMNA (0.38) ALDH1A1

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 POLB 2325/4885XIAP 2106/4885PDE4B 1162/4885

“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.