SCHEMBL2760708

SCHEMBL2760708

c1ccc(-c2ccc(N3CCNCC3)nc2)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.74
PLD1 Q13393 1/20 0.64
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HTR7 P34969 2/20 0.58
HTR1A P08908 1/20 0.58
GPR119 Q8TDV5 1/20 0.51
ACVR1B P36896 2/20 0.50
TGFBR1 P36897 1/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
ATR Q13535 1/20 0.50
NTRK1 P04629 3/20 0.49
BPTF Q12830 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL1199415 0.83 PLD1 (0.60) CNR2PLD1HDAC1HDAC2GPR119
SCHEMBL3442195 0.81 GPR119 (0.59) PLD1HDAC2HTR7HTR1AGPR119
SCHEMBL30443428 0.81 PLD1 (0.61) CNR2PLD1HDAC1HDAC2HTR7
SCHEMBL29022049 0.81 PLD1 (0.61) CNR2PLD1HDAC1HDAC2HTR7
SCHEMBL21268795 0.80 HTR7 (0.71) CNR2PLD1HDAC1HDAC2HTR7
SCHEMBL1743234 0.79 CNR2 (0.68) CNR2HTR1AACVR1BTGFBR1MAPT
SCHEMBL1743039 0.79 CNR2 (0.68) CNR2ACVR1BTGFBR1MAPTACVR1
SCHEMBL893565 0.79 PLD1 (1.00) PLD1HTR7HTR1ABPTFMEN1
SCHEMBL7900 0.79 PLD1 (1.00) PLD1HTR7HTR1ABPTFMEN1
SCHEMBL29400889 0.79 PLD1 (1.00) PLD1HTR7HTR1ABPTFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807085-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP disclosed
EP-2266569-A2 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2010-12-29 EP disclosed
US-7767677-B2 Heterocyclic derivatives and their use as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2010-08-03 US disclosed
US-20080096895-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-04-24 US disclosed
EP-1807085-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-18 EP disclosed
WO-2006034440-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO 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-20080096895-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors SCD, SCD5, ECHS1 CNR2 553/4885PLD1 1042/4885HDAC1 405/4885

“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.