SCHEMBL5636798

SCHEMBL5636798

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.33
▸ FKBP1A P62942 3/20 0.33
▸ ACE P12821 2/20 0.33
▸ MME P08473 1/20 0.33
▸ F10 P00742 2/20 0.32
▸ SRC P12931 1/20 0.32
▸ HCRTR2 O43614 1/20 0.31
▸ FPR1 P21462 4/20 0.31
▸ FPR2 P25090 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ BBOX1 O75936 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ KDM8 Q8N371 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ HIF1AN Q9NWT6 1/20 0.31
▸ TPSAB1 Q15661 1/20 0.31
▸ TPSD1 Q9BZJ3 1/20 0.31
▸ TPSG1 Q9NRR2 1/20 0.31

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
SCHEMBL5639566 0.84 HCRTR2 (0.31) PREPFKBP1AHCRTR2
SCHEMBL5639569 0.84 HCRTR2 (0.31) PREPFKBP1AHCRTR2
SCHEMBL5638607 0.83 KMT2A (0.38) ACEMMEF10
SCHEMBL5639334 0.81 ALDH1A1 (0.39) ACEMMEALDH1A1
SCHEMBL5641911 0.80 FAAH (0.38) ACEMMEALDH1A1
SCHEMBL5637870 0.80 EPHX1 (0.40) ACEMME
SCHEMBL5640710 0.79 NPSR1 (0.41) FKBP1A
SCHEMBL5637810 0.77 LMNA (0.40) FKBP1AACEMMEF10SRC
SCHEMBL5639998 0.76 NPY1R (0.40) ACEMME
SCHEMBL5639457 0.75 FPR2 (0.53) FPR1FPR2

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 PREP 2170/4885FKBP1A 2599/4885ACE 1267/4885

“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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