SCHEMBL4047786

SCHEMBL4047786

O=c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cnn1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.70
PTGS1 P23219 6/20 0.70
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPBWR1 P48145 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL4798388 0.94 PTGS2 (0.63) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL4387824 0.91 PTGS2 (0.59) PTGS2PTGS1CYP3A4ALDH1A1
SCHEMBL27489267 0.91 PTGS2 (0.59) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL4190505 0.89 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL4800431 0.87 PTGS2 (0.54) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL4394435 0.87 PTGS2 (0.54) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL4384062 0.83 PTGS2 (0.60) PTGS2PTGS1ALDH1A1HTTNPBWR1
SCHEMBL4803131 0.82 PTGS2 (0.61) PTGS2PTGS1HTTNPSR1
SCHEMBL6601374 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4185289 0.81 PTGS2 (0.60) PTGS2PTGS1HTTNPSR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699796-A4 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-03-04 EP 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
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-1699796-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
US-7037910-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB (US) 2006-05-02 US disclosed
US-20050192278-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
WO-2005061509-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-07 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 (2 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-20050192278-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 PTGS2 1458/4885PTGS1 1147/4885CYP1A2 278/4885
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR PTGS2 2265/4885PTGS1 1589/4885CYP1A2 390/4885

“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.