SCHEMBL4804804

SCHEMBL4804804

O=c1n(CC(O)c2cccc(Cl)c2)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.50
▸ IDO1 P14902 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.38
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ AGTR1 P30556 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
SCHEMBL4804792 1.00 CNR1 (0.50) CNR1IDO1GPR119RAB9ANPC1
SCHEMBL14180941 0.92 CNR1 (0.49) CNR1IDO1GPR119RAB9ANPC1
SCHEMBL14180943 0.91 CNR1 (0.52) CNR1IDO1GPR119RAB9ANPC1
SCHEMBL14180959 0.86 CNR1 (0.50) CNR1IDO1GPR119RAB9ANPC1
SCHEMBL14180776 0.82 CNR1 (0.59) CNR1IDO1MAPTKDM4EMEN1
SCHEMBL14180759 0.82 CNR1 (0.53) CNR1GPR119RAB9ANPC1MAPT
SCHEMBL14180944 0.81 CNR1 (0.56) CNR1
SCHEMBL4803516 0.81 CNR1 (0.49) CNR1GPR119RAB9ANPC1MAPT
SCHEMBL14181084 0.80 CNR1 (0.59) CNR1RAB9ANPC1MAPTMEN1
SCHEMBL14180956 0.80 CNR1 (0.47) CNR1GPR119RAB9AMAPTALDH1A1

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 CNR1 1/4885IDO1 2375/4885GPR119 42/4885

“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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