SCHEMBL5637615

SCHEMBL5637615

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ APP P05067 1/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ RAMP1 O60894 2/20 0.47
▸ CALCRL Q16602 2/20 0.47
▸ SRC P12931 3/20 0.47
▸ F2 P00734 1/20 0.46
▸ ACE P12821 6/20 0.46
▸ MME P08473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL5637302 0.87 FNTA (0.42) FNTAFNTBAPPNPY1RRAMP1
SCHEMBL5640380 0.87 KCNH2 (0.44) FNTAFNTBSRCALDH1A1
SCHEMBL6203197 0.87 KCNH2 (0.44) FNTAFNTBSRCALDH1A1
SCHEMBL5638402 0.85 CHRNB2 (0.47) FNTAFNTBNPY1RALDH1A1HDAC1
SCHEMBL5638685 0.84 SRC (0.48) APPSRC
SCHEMBL12797532 0.83 NPY1R (0.52) L3MBTL1FNTAFNTBAPPNPY1R
SCHEMBL14171435 0.83 NPY1R (0.52) L3MBTL1FNTAFNTBAPPNPY1R
SCHEMBL5639922 0.82 NPY1R (0.39) APPNPY1RSRCF2ACE
SCHEMBL5638990 0.81 DDB1 (0.44) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13951778 0.81 APP (0.53) L3MBTL1FNTAFNTBAPPNPY1R

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 880/4885FNTA 2598/4885FNTB 2314/4885

“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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