SCHEMBL5638319

SCHEMBL5638319

O=C(O)N[C@H]1CCCCN(Cc2ccccn2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ ACE P12821 5/20 0.46
▸ MME P08473 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ SRC P12931 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ APP P05067 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ RAMP1 O60894 1/20 0.43
▸ CALCRL Q16602 1/20 0.43

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
SCHEMBL14171418 0.84 DDB1 (0.46) L3MBTL1KDM4EHPGDRECQLDDB1
SCHEMBL5637435 0.83 NPY1R (0.58) ACEMMENPY1RSRCAPP
SCHEMBL5638990 0.82 DDB1 (0.44) L3MBTL1CHRM2CHRM1CHRM3KDM4E
SCHEMBL5638980 0.82 DDB1 (0.44) L3MBTL1CHRM2CHRM1CHRM3HPGD
SCHEMBL5638151 0.80 SRC (0.49) ACEMMENPY1RSRCSIGMAR1
SCHEMBL7950295 0.79 SRC (0.67) NPY1RSRCAPP
SCHEMBL5638695 0.78 KDM4E (0.53) CHRM2CHRM1CHRM3ACEMME
SCHEMBL5639241 0.78 DDB1 (0.49) L3MBTL1KDM4ESMN1; SMN2HPGDRECQL
SCHEMBL5639237 0.77 NPY1R (0.50) ACEMMENPY1RSRCAPP
SCHEMBL2899062 0.75 CALCRL (0.65) RAMP1CALCRL

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 L3MBTL1 880/4885CHRM2 306/4885CHRM1 218/4885

“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.

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