SCHEMBL5639090

SCHEMBL5639090

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PLAU P00749 1/20 0.33
PRSS1 P07477 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CCR2 P41597 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5637024 0.85 POLB (0.35) ALDH1A1
SCHEMBL5637705 0.85 POLB (0.35) ALDH1A1
SCHEMBL5637731 0.83 CCR2 (0.35) CCR2ALDH1A1
SCHEMBL5637810 0.82 LMNA (0.40) LMNASMN1; SMN2PLAUPRSS1TPSAB1
SCHEMBL5638785 0.82 NPY1R (0.33) SMN1; SMN2PKMALDH1A1
SCHEMBL5637444 0.81 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL5639094 0.81 LMNA (0.36) LMNASMN1; SMN2PLAUPRSS1TPSAB1
SCHEMBL5640783 0.81 HTT (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL5640627 0.81 HTT (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL5638040 0.80 HTT (0.47) LMNASMN1; SMN2ALDH1A1

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 LMNA 4340/4885SMN1; SMN2 4121/4885PLAU 4819/4885

“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.