SCHEMBL6797136

SCHEMBL6797136

Cc1cccc(C)c1CN1CCCC[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.46
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ SRC P12931 6/20 0.44
▸ NPY1R P25929 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ APP P05067 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ XIAP P98170 1/20 0.38

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
SCHEMBL5639237 0.85 NPY1R (0.50) F10SRCNPY1RAPPMME
SCHEMBL12527914 0.85 KMT2A (0.55) F10F2PRSS1SRCNPY1R
SCHEMBL12527916 0.84 KMT2A (0.54) F10F2PRSS1SRCNPY1R
SCHEMBL4196013 0.82 NPY1R (0.51) F10F2PRSS1SRCNPY1R
SCHEMBL13904759 0.82 NPY1R (0.51) F10F2PRSS1SRCNPY1R
SCHEMBL13904769 0.82 NPY1R (0.53) F10SRCNPY1RAPP
SCHEMBL13818354 0.81 SRC (0.61) SRCKMT2AL3MBTL1
SCHEMBL14859419 0.81 F2 (0.45) F10F2PRSS1SRCKMT2A
SCHEMBL21165916 0.81 F2 (0.53) F10F2PRSS1SRCKMT2A
SCHEMBL12525774 0.80 KDM4E (0.47) F10F2PRSS1SRCNPY1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F10 4667/4885F2 4543/4885PRSS1 1278/4885

“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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