SCHEMBL5637302

SCHEMBL5637302

O=CN[C@H]1CCCCN(Cc2ccncc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ SRC P12931 6/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ APP P05067 1/20 0.38
▸ NPY1R P25929 1/20 0.37
▸ RAMP1 O60894 2/20 0.37
▸ CALCRL Q16602 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL5637615 0.87 L3MBTL1 (0.48) FNTAFNTBSRCMEN1KMT2A
SCHEMBL5638402 0.85 CHRNB2 (0.47) FNTAFNTBALDH1A1KDM4ENPY1R
SCHEMBL6203197 0.85 KCNH2 (0.44) FNTAFNTBSRCALDH1A1
SCHEMBL5640380 0.85 KCNH2 (0.44) FNTAFNTBSRCALDH1A1
SCHEMBL14171421 0.84 FNTA (0.43) FNTAFNTBSRCMEN1KMT2A
SCHEMBL5637296 0.82 FNTA (0.44) FNTAFNTBSRCMEN1KMT2A
SCHEMBL5638685 0.81 SRC (0.48) SRCAPPGAA
SCHEMBL5638151 0.81 SRC (0.49) FNTAFNTBSRCMEN1KMT2A
SCHEMBL5638990 0.79 DDB1 (0.44) MEN1KMT2AALDH1A1KDM4E
SCHEMBL5638452 0.79 TPSAB1 (0.47) —

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 FNTA 2598/4885FNTB 2314/4885SRC 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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