SCHEMBL4803480

SCHEMBL4803480

O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(Cl)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.39
XDH P47989 1/20 0.37
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
IKBKB O14920 1/20 0.36
MAP3K14 Q99558 1/20 0.36
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL4807426 0.87 RAB9A (0.41) NOTUMMEN1RAB9AKMT2AKDM4E
SCHEMBL4798689 0.81 RAB9A (0.50) NOTUMMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL4802594 0.79 RAB9A (0.41) NOTUMMEN1RAB9AKMT2AKDM4E
SCHEMBL3551803 0.78 NOTUM (0.46) NOTUMXDHMEN1KMT2AIKBKB
SCHEMBL3551392 0.72 NOTUM (0.44) NOTUMXDHCNR1MAPK14
SCHEMBL3553766 0.72 NOTUM (0.44) NOTUMXDHCNR1MAPK14
SCHEMBL4806700 0.70 SMN1; SMN2 (0.47) NOTUMMEN1RAB9AKMT2AKDM4E
SCHEMBL3557459 0.69 HPGD (0.41) NOTUMKMT2AIKBKBMAP3K14KDM4E
SCHEMBL4806198 0.69 NOTUM (0.41) NOTUMMEN1RAB9AKMT2AKDM4E
SCHEMBL4797559 0.68 NPC1 (0.50) MEN1RAB9AKMT2ASMN1; SMN2CNR1

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
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR NOTUM 1526/4885XDH 2876/4885MEN1 885/4885

“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.