SCHEMBL287837

SCHEMBL287837

O=C(CN1C=CCC(c2cc(Cc3ccccc3)n(C3CCCCC3)n2)=C1)NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 2/20 0.39
GCGR P47871 2/20 0.38
KCNJ6 P48051 3/20 0.37
KCNJ3 P48549 3/20 0.37
KCNJ5 P48544 2/20 0.36
EPHX1 P07099 1/20 0.35
CCR5 P51681 1/20 0.35
PDE9A O76083 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PIN1 Q13526 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
SCHEMBL286989 0.78 KDM5A (0.42) EPHX2
SCHEMBL298420 0.69 APLNR (0.37) KCNJ6KCNJ3KCNJ5ALDH1A1KMT2A
SCHEMBL661119 0.66 FAAH (0.42)
SCHEMBL661116 0.65 POLB (0.38) CNR1CNR2SMN1; SMN2MEN1ALDH1A1
SCHEMBL287304 0.62 HCAR2 (0.43) ALDH1A1
SCHEMBL13307838 0.61 CNR1 (0.61) CNR1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL298161 0.60 BRS3 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL5051924 0.60 EPHX2 (1.00) EPHX2EPHX1MEN1ALDH1A1KMT2A
SCHEMBL3397254 0.60 EPHX2 (1.00) EPHX2EPHX1MEN1ALDH1A1KMT2A
SCHEMBL6865166 0.58 SIGMAR1 (0.67) EPHX2MEN1ALDH1A1KMT2A

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 CNR1 968/4885CNR2 994/4885EPHX2 1206/4885

“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.