SCHEMBL4805929

SCHEMBL4805929

CCOCC(O)Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.47
▸ GPR119 Q8TDV5 6/20 0.43
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL14180756 0.91 CNR1 (0.46) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180963 0.90 CNR1 (0.48) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180961 0.90 CNR1 (0.48) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180939 0.88 CNR1 (0.47) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180951 0.87 CNR1 (0.48) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180964 0.87 CNR1 (0.46) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180952 0.86 CNR1 (0.47) CNR1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL4804647 0.85 CNR1 (0.47) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL4804639 0.85 CNR1 (0.47) CNR1GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL14180949 0.85 CNR1 (0.47) CNR1GPR119RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 — — EP claimed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 — — WO claimed
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 CNR1 1/4885GPR119 42/4885RAB9A 763/4885

“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.

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