SCHEMBL5636609

SCHEMBL5636609

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IDE P14735 2/20 0.48
CLK1 P49759 1/20 0.46
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 2/20 0.43
PDGFRB P09619 1/20 0.43
CCR5 P51681 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL5637765 0.92 IDE (0.49) MEN1KMT2AIDECLK1MAPT
SCHEMBL5637387 0.85 KDM4E (0.54) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5639276 0.79 IDE (0.48) MEN1KMT2AIDECLK1CCR5
SCHEMBL5637408 0.79 IDE (0.48) MEN1KMT2AIDECLK1MAPT
SCHEMBL5639171 0.78 IDE (0.52) MEN1KMT2AIDECLK1MAPK1
SCHEMBL5639091 0.78 IDE (0.49) MEN1KMT2AIDECLK1CCR5
SCHEMBL29931663 0.78 ACHE (0.42) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5640495 0.77 NCF1 (0.60) MEN1KMT2AIDECLK1MAPT
SCHEMBL5637707 0.77 ALOX5 (0.54) MEN1KMT2AIDECLK1MAPT
SCHEMBL5637085 0.76 IDE (0.52) MEN1KMT2AIDECLK1MAPT

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

“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.