SCHEMBL4390766

SCHEMBL4390766

Oc1nnc(Cl)c(-c2ccc(Cl)cc2)c1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
DCTPP1 Q9H773 1/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CNR1 P21554 1/20 0.43
FLT3 P36888 1/20 0.42
GRM5 P41594 4/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL4391202 0.81 CASP1 (0.40) LMNAKDM4ECYP1A2NPC1RAB9A
SCHEMBL896765 0.80 L3MBTL1 (0.48) L3MBTL1DCTPP1CCR1CCR5CCR8
SCHEMBL29498755 0.79 L3MBTL1 (0.64) L3MBTL1DCTPP1CCR1CCR5CCR8
SCHEMBL196552 0.79 L3MBTL1 (0.64) L3MBTL1DCTPP1CCR1CCR5CCR8
SCHEMBL4395903 0.77 GCGR (0.46) FLT3LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL21416106 0.76 L3MBTL1 (0.53) L3MBTL1DCTPP1CCR1CCR5CCR8
SCHEMBL3577494 0.75 ALOX5 (0.43) LMNAKDM4ECYP1A2NPC1RAB9A
SCHEMBL3561069 0.73 LMNA (0.47) L3MBTL1LMNAKDM4ECYP1A2POLB
SCHEMBL31400243 0.73 CCR1 (0.53) L3MBTL1DCTPP1CCR1CCR5CCR8
SCHEMBL21988531 0.73 CCR1 (0.53) L3MBTL1DCTPP1CCR1CCR5CCR8

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
EP-1891074-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
CN-101238128-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-08-06 CN disclosed
EP-1891074-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2008-02-27 EP disclosed
WO-2006138682-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 L3MBTL1 4797/4885DCTPP1 1315/4885CCR1 829/4885

“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.