SCHEMBL3551803

SCHEMBL3551803

O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(Cl)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.46
XDH P47989 1/20 0.40
IKBKB O14920 1/20 0.36
MAP3K14 Q99558 1/20 0.36
KDM4E B2RXH2 1/20 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
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3553766 0.93 NOTUM (0.44) NOTUMXDH
SCHEMBL3551392 0.93 NOTUM (0.44) NOTUMXDH
SCHEMBL4803480 0.78 NOTUM (0.39) NOTUMXDHIKBKBMAP3K14KDM4E
SCHEMBL4807426 0.77 RAB9A (0.41) NOTUMKDM4ELMNAPOLBHPGD
SCHEMBL3553773 0.75 NOTUM (0.44) NOTUMKDM4ELMNAPOLBHPGD
SCHEMBL3557459 0.73 HPGD (0.41) NOTUMIKBKBMAP3K14KDM4ELMNA
SCHEMBL11008551 0.72 NOTUM (0.53) NOTUMKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL4867170 0.72 NOTUM (0.51) NOTUM
SCHEMBL4798689 0.72 RAB9A (0.50) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16428674 0.70 MEN1 (0.53) NOTUMXDHHTTSMN1; SMN2HSD17B10

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-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697371-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
WO-2005063762-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 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-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NOTUM 1506/4885XDH 2328/4885IKBKB 1423/4885

“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.