SCHEMBL5639324

SCHEMBL5639324

O=[C]N[C@H]1CCCCN(C(=O)C2CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL5640864 0.84 NAAA (0.39) ALDH1A1KMT2AMEN1
SCHEMBL5638200 0.83 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL5637444 0.83 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL5638642 0.82 LIPE (0.36) HPGDPOLBALDH1A1HTT
SCHEMBL5637705 0.81 POLB (0.35) POLBALDH1A1
SCHEMBL5637024 0.81 POLB (0.35) POLBALDH1A1
SCHEMBL5638505 0.80 THRB (0.40) POLBALDH1A1TSHRKMT2A
SCHEMBL5639681 0.80 HPGD (0.38) HPGDPOLBALDH1A1TSHRBRD4
SCHEMBL5637731 0.79 CCR2 (0.35) ALDH1A1
SCHEMBL5640627 0.79 HTT (0.45) POLBALDH1A1TSHRHTTSMN1; SMN2

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 HPGD 2281/4885POLB 2325/4885ALDH1A1 1286/4885

“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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