SCHEMBL5637408

SCHEMBL5637408

CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)nc3cc(Cl)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.48
ALOX5 P09917 1/20 0.48
CNR1 P21554 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.46
CLK1 P49759 1/20 0.45
MAPT P10636 2/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL5637707 0.95 ALOX5 (0.54) IDEALOX5CNR1MEN1KMT2A
SCHEMBL5637765 0.87 IDE (0.49) IDEMEN1KMT2ACLK1MAPT
SCHEMBL5639000 0.87 IDE (0.48) IDEALOX5CNR1MEN1KMT2A
SCHEMBL5639276 0.86 IDE (0.48) IDEALOX5CNR1MEN1KMT2A
SCHEMBL5639091 0.85 IDE (0.49) IDEMEN1KMT2ACLK1HTT
SCHEMBL5639171 0.85 IDE (0.52) IDEMEN1KMT2ACLK1MAPK1
SCHEMBL5639763 0.83 IDE (0.50) IDEMEN1KMT2ACLK1MAPK1
SCHEMBL5640638 0.83 IDE (0.48) IDEMEN1KMT2ACLK1MAPT
SCHEMBL5638850 0.82 IDE (0.49) IDEMEN1KMT2ACLK1HTT
SCHEMBL5640338 0.82 IDE (0.47) IDECNR1MEN1KMT2ACLK1

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 IDE 4855/4885ALOX5 3124/4885CNR1 23/4885

“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.