SCHEMBL5637448

SCHEMBL5637448

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ADH4 P08319 1/20 0.32
EPHX2 P34913 2/20 0.31
EPHX1 P07099 1/20 0.31
XIAP P98170 2/20 0.31
NOTUM Q6P988 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5640869 0.85 NAAA (0.39) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5637029 0.85 POLB (0.35) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5637709 0.85 POLB (0.35) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5638209 0.84 ADH1B (0.33) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5640952 0.84 MEN1 (0.36) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5637733 0.84 CCR2 (0.35) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5638651 0.83 LIPE (0.36) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5639328 0.83 HPGD (0.37) ADH1BADH1CADH1AADH7BRD4
SCHEMBL5638791 0.82 XIAP (0.33) XIAPSMN1; SMN2
SCHEMBL5639094 0.81 LMNA (0.36) ALDH1A1SMN1; 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 ADH1B 1924/4885ADH1C 764/4885ADH1A 910/4885

“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.