SCHEMBL5639276

SCHEMBL5639276

CC(C)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CLK1 P49759 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
ALOX5 P09917 1/20 0.42
STS P08842 1/20 0.42
CCR5 P51681 1/20 0.42
CNR1 P21554 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42

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
SCHEMBL5639875 0.88 IDE (0.43) IDEMEN1KMT2ACLK1HTT
SCHEMBL5637765 0.87 IDE (0.49) IDEMEN1KMT2ACLK1HTT
SCHEMBL5637408 0.86 IDE (0.48) IDEMEN1KMT2ACLK1HTT
SCHEMBL5637707 0.86 ALOX5 (0.54) IDEMEN1KMT2ACLK1HTT
SCHEMBL5639091 0.85 IDE (0.49) IDEMEN1KMT2ACLK1HTT
SCHEMBL5639171 0.85 IDE (0.52) IDEMEN1KMT2ACLK1HTT
SCHEMBL5639000 0.83 IDE (0.48) IDEMEN1KMT2ACLK1HTT
SCHEMBL5639763 0.83 IDE (0.50) IDEMEN1KMT2ACLK1HTT
SCHEMBL5640638 0.83 IDE (0.48) IDEMEN1KMT2ACLK1HTT
SCHEMBL5638850 0.82 IDE (0.49) IDEMEN1KMT2ACLK1HTT

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 3 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
CN-1678586-A Substituted quinoline CCR5 receptor antagonists SCHERING AG (DE) 2005-10-05 CN 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 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.