SCHEMBL4801865

SCHEMBL4801865

NNc1cnnc(Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
IKBKB O14920 1/20 0.33
MAP3K14 Q99558 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NOTUM Q6P988 2/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN9A Q15858 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4805776 0.76 KDM4E (0.38) KDM4EALDH1A1MAPTCYP1A2IKBKB
SCHEMBL4046888 0.74 PTGS2 (0.40) TDO2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL3550447 0.73 GOT1 (0.47) TDO2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4798394 0.72 TDO2 (0.42) TDO2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4808609 0.72 KDM4E (0.39) TDO2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL3561069 0.72 LMNA (0.47) KDM4EALDH1A1MAPTCYP1A2IKBKB
SCHEMBL4049604 0.71 KDM4E (0.41) TDO2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL27647803 0.68 GCGR (0.43) KDM4EMAPTLMNANPC1RAB9A
SCHEMBL4805328 0.68 GCGR (0.43) KDM4EMAPTLMNANPC1RAB9A
SCHEMBL10537069 0.67 SCN9A (0.40) TDO2KDM4EALDH1A1MAPTCYP1A2

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 5 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
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 TDO2 3409/4885KDM4E 1199/4885ALDH1A1 1758/4885

“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.