SCHEMBL5637435

SCHEMBL5637435

O=C(O)N[C@H]1CCCCN(Cc2ccccc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.58
▸ APP P05067 1/20 0.58
▸ SRC P12931 8/20 0.57
▸ RAMP1 O60894 2/20 0.57
▸ CALCRL Q16602 2/20 0.57
▸ ACE P12821 7/20 0.57
▸ MME P08473 1/20 0.57
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL7950295 0.92 SRC (0.67) NPY1RAPPSRC
SCHEMBL5638151 0.88 SRC (0.49) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL5637803 0.88 SRC (0.52) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL5638695 0.87 KDM4E (0.53) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL5640916 0.85 SRC (0.58) NPY1RAPPSRC
SCHEMBL14171435 0.83 NPY1R (0.52) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL12797532 0.83 NPY1R (0.52) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL12527914 0.83 KMT2A (0.55) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL5639237 0.83 NPY1R (0.50) NPY1RAPPSRCRAMP1CALCRL
SCHEMBL5638319 0.83 L3MBTL1 (0.47) NPY1RAPPSRCRAMP1CALCRL

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 NPY1R 265/4885APP 3071/4885SRC 1866/4885

“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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