SCHEMBL3554706

SCHEMBL3554706

C[Si](C)(C)CCOCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(=O)[nH]n2c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.48
KDM4E B2RXH2 6/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
FPR1 P21462 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
DCTPP1 Q9H773 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14540776 0.86 CNR1 (0.47) CNR1KDM4EHPGDHTTLMNA
SCHEMBL3555259 0.80 CNR1 (0.41) CNR1KDM4EHPGDHTTMAPT
SCHEMBL3560787 0.78 CNR1 (0.40) CNR1KDM4EHPGDHTTMAPT
SCHEMBL3554343 0.77 CNR1 (0.48) CNR1KDM4EHPGDHTTLMNA
SCHEMBL3554322 0.72 CNR1 (0.57) CNR1KDM4EHPGDHTTLMNA
SCHEMBL13114639 0.72 CNR1 (0.73) CNR1LMNA
SCHEMBL3554327 0.70 CNR1 (0.57) CNR1
SCHEMBL3557459 0.64 HPGD (0.41) CNR1KDM4EHPGDHTTLMNA
SCHEMBL29109010 0.64 KDM4E (0.34) KDM4EPOLBHSD17B10MEN1KMT2A
SCHEMBL4389578 0.61 KCNQ3 (0.47) CNR1KDM4EHPGDHTTLMNA

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 6 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
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 CNR1 1/4885KDM4E 1176/4885HPGD 652/4885

“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.