SCHEMBL5639413

SCHEMBL5639413

CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)Oc2ccc(F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ KDM4D Q6B0I6 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ BRD3 Q15059 1/20 0.35

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
SCHEMBL5638640 0.82 NAAA (0.46) F2F10PRSS1GAA
SCHEMBL5638120 0.79 ALDH1A1 (0.38) KMT2APOLBMAPTRAB9ASMN1; SMN2
SCHEMBL5638131 0.79 ALDH1A1 (0.38) KMT2APOLBMAPTRAB9ASMN1; SMN2
SCHEMBL5637243 0.79 F2 (0.43) F2F10PRSS1KMT2AGAA
SCHEMBL5640189 0.78 GAA (0.44) KDM1AF2F10PRSS1KMT2A
SCHEMBL5638007 0.78 GAA (0.44) KDM1AF2F10PRSS1KMT2A
SCHEMBL5638689 0.77 F2 (0.48) F2F10PRSS1KMT2AGAA
SCHEMBL5639417 0.77 F2 (0.43) F2F10PRSS1KMT2AGAA
SCHEMBL5637298 0.76 F2 (0.42) F2F10PRSS1KMT2AGAA
SCHEMBL14515770 0.76 F2 (0.42) F2F10PRSS1KMT2AGAA

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 SCN9A 2462/4885KDM1A 3790/4885KDM4D 4300/4885

“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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