SCHEMBL3756575

SCHEMBL3756575

O=C1N(CCc2ccc(Cl)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.47
CCR1 P32246 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.45
CCR3 P51677 1/20 0.44
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL3748798 0.93 LIPE (0.48) LIPECCR1MEN1KMT2AEPHX2
SCHEMBL3748211 0.91 LIPE (0.48) LIPECCR1EPHX2CCR3
SCHEMBL745902 0.91 CCR3 (0.53) LIPECCR1MEN1KMT2AEPHX2
SCHEMBL3754889 0.89 LIPE (0.46) LIPECCR1EPHX2CCR3
SCHEMBL3744572 0.89 LIPE (0.45) LIPECCR1CCR3ALDH1A1
SCHEMBL3745589 0.88 LIPE (0.50) LIPEMEN1KMT2ACCR3ALDH1A1
SCHEMBL745679 0.88 CCR1 (0.45) LIPECCR1CCR3ALDH1A1TRPV4
SCHEMBL3746782 0.86 EPHX2 (0.48) LIPECCR1MEN1KMT2AEPHX2
SCHEMBL3752462 0.86 LIPE (0.48) LIPECCR1ALDH1A1
SCHEMBL3752266 0.85 EPHX2 (0.47) LIPECCR1MEN1KMT2AEPHX2

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
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 LIPE 10/4885CCR1 968/4885MEN1 2464/4885

“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.