SCHEMBL5638980

SCHEMBL5638980

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ HSD11B1 P28845 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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 0.85 DDB1 (0.46) DDB1CRBNHSD11B1L3MBTL1LMNA
SCHEMBL5638990 0.83 DDB1 (0.44) DDB1CRBNHSD11B1L3MBTL1LMNA
SCHEMBL5638319 0.82 L3MBTL1 (0.47) DDB1CRBNL3MBTL1HPGDRECQL
SCHEMBL5637605 0.81 FNTA (0.50) L3MBTL1KMT2AFNTAFNTBMEN1
SCHEMBL5637296 0.79 FNTA (0.44) KMT2AFNTAFNTBMEN1ALDH1A1
SCHEMBL5639241 0.79 DDB1 (0.49) DDB1CRBNHSD11B1L3MBTL1LMNA
SCHEMBL5638395 0.78 CHRNB2 (0.47) LMNAMAPTFNTAFNTBALDH1A1
SCHEMBL5639916 0.76 NPY1R (0.39) LMNAFNTAFNTB
SCHEMBL5640370 0.74 KCNH2 (0.44) FNTAFNTBALDH1A1
SCHEMBL5636758 0.72 GAA (0.36) L3MBTL1ALDH1A1CHRM2CHRM1CHRM3

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 DDB1 1538/4885CRBN 4414/4885HSD11B1 832/4885

“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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