SCHEMBL5638859

SCHEMBL5638859

C=CCNC(=O)N1CCCC[C@@H](N)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ FAAH O00519 3/20 0.38
▸ MGLL Q99685 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5639139 0.85 POLB (0.41) KMT2AFAAHDPP4ALDH1A1POLB
SCHEMBL5639442 0.81 KMT2A (0.41) KMT2ADPP4ALDH1A1TSHRCYP3A4
SCHEMBL5641911 0.80 FAAH (0.38) KMT2AFAAHMGLLNPSR1ALDH1A1
SCHEMBL5636578 0.80 FAAH (0.38) KMT2AFAAHMGLLNPSR1ALDH1A1
SCHEMBL5636583 0.80 FAAH (0.36) KMT2AFAAHMGLLNPSR1ALDH1A1
SCHEMBL5638015 0.79 DPP4 (0.37) DPP4ALDH1A1TSHRCYP3A4TDP1
SCHEMBL5639223 0.78 MMP1 (0.42) KMT2AFAAHDPP4TSHRMEN1
SCHEMBL5639370 0.77 L3MBTL1 (0.41) NPSR1TDP1
SCHEMBL18629333 0.77 KMT2A (0.42) KMT2ANPSR1ALDH1A1POLBTSHR
SCHEMBL5637432 0.75 HTT (0.50) KMT2ADPP4ALDH1A1POLBTSHR

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 KMT2A 3541/4885FAAH 1626/4885MGLL 3725/4885

“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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