SCHEMBL3756582

SCHEMBL3756582

O=C1N(CCc2cccc(C(F)(F)F)c2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.48
PLA2G1B P04054 1/20 0.46
PKM P14618 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR3 P51677 1/20 0.41
CNR1 P21554 1/20 0.41
DAO P14920 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
DPP4 P27487 1/20 0.40
MAOB P27338 1/20 0.39
HTR2A P28223 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
SCHEMBL3741489 0.87 CCR3 (0.50) LIPEPKMALDH1A1MEN1KMT2A
SCHEMBL745679 0.87 CCR1 (0.45) LIPEPKMHCRTR1HCRTR2ALDH1A1
SCHEMBL3748798 0.86 LIPE (0.48) LIPEALDH1A1MEN1KMT2ACCR3
SCHEMBL3744572 0.84 LIPE (0.45) LIPEALDH1A1ATMCCR3HTR2A
SCHEMBL744116 0.83 LIPE (0.46) LIPEPKMALDH1A1MEN1KMT2A
SCHEMBL3754889 0.82 LIPE (0.46) LIPECCR3HTR2AHTR2CDRD2
SCHEMBL745902 0.82 CCR3 (0.53) LIPEPKMALDH1A1MEN1KMT2A
SCHEMBL3756575 0.81 LIPE (0.47) LIPEALDH1A1MEN1KMT2ACCR3
SCHEMBL3748211 0.80 LIPE (0.48) LIPECCR3
SCHEMBL3746782 0.79 EPHX2 (0.48) LIPEALDH1A1MEN1KMT2ACCR3

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 7 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

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 10/4885PLA2G1B 1440/4885PKM 4056/4885

“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.