SCHEMBL286989

SCHEMBL286989

O=C(CN1C=CCC(c2cc(Cc3ccccc3)[nH]n2)=C1)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
MAPK8 P45983 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ITK Q08881 1/20 0.38
GRIN2B Q13224 3/20 0.37
KDM5B Q9UGL1 1/20 0.36
RIPK1 Q13546 2/20 0.36
EPHX2 P34913 1/20 0.36
COMT P21964 1/20 0.35
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL287304 0.84 HCAR2 (0.43) KDM5AHCAR2DRD2DRD4DRD3
SCHEMBL287605 0.84 KMT2A (0.41) HCAR2EPHX2
SCHEMBL660695 0.83 HCAR2 (0.37) KDM5AHCAR2DRD2DRD4DRD3
SCHEMBL287837 0.78 CNR1 (0.40) EPHX2
SCHEMBL287412 0.78 COMT (0.41) HCAR2DRD2DRD4DRD3ITK
SCHEMBL27854956 0.75 RIPK1 (0.38) KDM5AHCAR2DRD2DRD4DRD3
SCHEMBL661116 0.74 POLB (0.38) KDM5AGRIN2B
SCHEMBL298161 0.71 BRS3 (0.38) GRIN2B
SCHEMBL27854968 0.71 COMT (0.35) HCAR2DRD2DRD4DRD3ITK
SCHEMBL27871671 0.70 HCAR2 (0.39) KDM5AHCAR2DRD2DRD4DRD3

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
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT KDM5A 2197/4885HCAR2 223/4885MAPK8 1694/4885

“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.