SCHEMBL3746763

SCHEMBL3746763

CCC(C)c1ccc(N2CCC3(CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
EBP Q15125 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
LIPE Q05469 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL746679 0.84 EGLN1 (0.48) EGLN1KMT2AEBPHRH3ALDH1A1
SCHEMBL746626 0.82 LIPE (0.46) EGLN1LIPEITGB3ITGA2B
SCHEMBL745246 0.81 LIPE (0.52) EGLN1HRH3ALDH1A1MAPTLIPE
SCHEMBL3743935 0.77 KMT2A (0.45) EGLN1MEN1KMT2AALDH1A1LIPE
SCHEMBL750610 0.77 HTR7 (0.45) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL745391 0.75 LIPE (0.64) EBPLIPE
SCHEMBL3744078 0.72 ITGB3 (0.48) LIPEITGB3ITGA2B
SCHEMBL13995392 0.71 ALDH1A1 (0.63) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL19928242 0.70 MEN1 (0.55) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL745186 0.68 LIPE (0.50) EGLN1LIPEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL EGLN1 2307/4885MEN1 2464/4885NPC1 19/4885

“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.