SCHEMBL5641964

SCHEMBL5641964

O=C(O)N[C@H]1CCCCN(C(=O)Nc2ccccc2F)C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL5638425 0.85 KMT2A (0.43) FPR2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5638422 0.85 KMT2A (0.43) FPR2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5637813 0.84 RAB9A (0.48) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL5638914 0.82 KMT2A (0.47) KMT2ARAB9ANPC1ALDH1A1MEN1
SCHEMBL5637096 0.81 ALDH1A1 (0.52) FPR2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5637671 0.80 NPC1 (0.53) KMT2ARAB9ANPC1ALDH1A1MEN1
SCHEMBL5638525 0.76 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4EGAATP53
SCHEMBL5639457 0.76 FPR2 (0.53) FPR2
SCHEMBL5640271 0.76 NPSR1 (0.42) ALDH1A1NPSR1KDM4ELMNA
SCHEMBL5639244 0.75 ALDH1A1 (0.46) ALDH1A1GAA

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 FPR2 180/4885KMT2A 3541/4885RAB9A 794/4885

“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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