SCHEMBL2761188

SCHEMBL2761188

c1ccc(-c2ccc(N3CCNCC3)nn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.61
▸ BPTF Q12830 3/20 0.60
▸ HTR7 P34969 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTR1A P08908 2/20 0.52
▸ USP2 O75604 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 2/20 0.46

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
SCHEMBL2760767 0.80 CHRNA7 (0.61) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL30443428 0.79 PLD1 (0.61) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL29022049 0.79 PLD1 (0.61) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL2760708 0.78 CNR2 (0.74) PLD1BPTFHTR7ALDH1A1HSD17B10
SCHEMBL29400889 0.77 PLD1 (1.00) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL7900 0.77 PLD1 (1.00) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL893565 0.77 PLD1 (1.00) PLD1BPTFHTR7ALDH1A1KDM4E
SCHEMBL9069327 0.77 PLD1 (0.58) PLD1BPTFHTR7ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL26136373 0.76 HTR7 (0.59) PLD1HTR7ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4165242 0.75 PLD1 (0.96) PLD1BPTFHTR7ALDH1A1KDM4E

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 PLD1 1042/4885BPTF 3515/4885HTR7 3231/4885

“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.

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