SCHEMBL5638997

SCHEMBL5638997

CN(c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc2n1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 1/20 0.45
CLK1 P49759 1/20 0.44
MAPT P10636 3/20 0.44
CNR1 P21554 3/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPK1 P28482 2/20 0.43
ALOX5 P09917 1/20 0.42
CCR5 P51681 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL5640269 0.90 IDE (0.51) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5640027 0.87 IDE (0.48) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5637338 0.83 IDE (0.51) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5637408 0.82 IDE (0.48) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5637085 0.81 IDE (0.52) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5637707 0.79 ALOX5 (0.54) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5638566 0.79 MEN1 (0.52) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5639000 0.79 IDE (0.48) IDEMEN1KMT2AALDH1A1CLK1
SCHEMBL5637765 0.78 IDE (0.49) IDEMEN1KMT2ACLK1MAPT
SCHEMBL5640338 0.78 IDE (0.47) IDEMEN1KMT2ACLK1MAPT

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 IDE 4855/4885MEN1 4119/4885KMT2A 3541/4885

“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.