SCHEMBL5637733

SCHEMBL5637733

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
NAAA Q02083 1/20 0.32
RIPK1 Q13546 2/20 0.31
ALDH1A1 P00352 3/20 0.31
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 1/20 0.31
ELANE P08246 1/20 0.30
ADH4 P08319 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
SCHEMBL5637448 0.84 ADH1B (0.33) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5639094 0.83 LMNA (0.36) CCR2ALDH1A1
SCHEMBL5637029 0.81 POLB (0.35) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5637709 0.81 POLB (0.35) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5640869 0.81 NAAA (0.39) NAAAALDH1A1ADH1BADH1CADH1A
SCHEMBL5638209 0.81 ADH1B (0.33) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5640952 0.80 MEN1 (0.36) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5637731 0.80 CCR2 (0.35) CCR2NAAARIPK1ALDH1A1
SCHEMBL5639328 0.79 HPGD (0.37) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL5638651 0.79 LIPE (0.36) ALDH1A1ADH1BADH1CADH1AADH7

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 2 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
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US 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 CCR2 3/4885NAAA 3017/4885RIPK1 717/4885

“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.