SCHEMBL3744668

SCHEMBL3744668

O=C1N(c2ccc(OCC3CCCC3)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.65
EGLN1 Q9GZT9 1/20 0.41
F2 P00734 5/20 0.41
TRPV4 Q9HBA0 1/20 0.40
F10 P00742 1/20 0.40
PRSS2 P07478 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL3746995 0.85 LIPE (0.68) LIPEEGLN1CCR1
SCHEMBL745034 0.83 LIPE (0.60) LIPEEGLN1HTR2AHTR2CCCR1
SCHEMBL748151 0.82 LIPE (0.76) LIPE
SCHEMBL744082 0.80 LIPE (0.72) LIPEEGLN1CCR1
SCHEMBL3740078 0.79 LIPE (0.66) LIPEEGLN1CCR1
SCHEMBL745848 0.79 LIPE (1.00) LIPE
SCHEMBL743464 0.78 LIPE (0.63) LIPECCR1
SCHEMBL747770 0.77 LIPE (0.63) LIPEEGLN1CCR1
SCHEMBL745622 0.77 LIPE (0.69) LIPEEGLN1CCR1
SCHEMBL13075630 0.77 LIPE (0.66) LIPEEGLN1CCR1

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
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
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

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 LIPE 10/4885EGLN1 2307/4885F2 4532/4885

“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.