SCHEMBL4872141

SCHEMBL4872141

O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.45
AVPR1A P37288 7/20 0.45
CNR1 P21554 5/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
GRM2 Q14416 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CNR2 P34972 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX3 P56373 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
SCHEMBL4873206 0.91 CNR1 (0.48) CNR1NR1H2NR1H3GRM2MEN1
SCHEMBL4867917 0.88 CNR1 (0.56) AVPR2AVPR1ACNR1MEN1KMT2A
SCHEMBL4861793 0.86 CNR1 (0.46) AVPR2AVPR1ACNR1NR1H2NR1H3
SCHEMBL14280862 0.85 CNR1 (0.42) AVPR2AVPR1ACNR1CNR2
SCHEMBL4874621 0.83 CNR1 (0.40) AVPR2AVPR1ACNR1CNR2
SCHEMBL4886271 0.82 ARF6 (0.43) CNR1CHRM5CHRM3GRM2CNR2
SCHEMBL4870438 0.81 CNR1 (0.38) AVPR2AVPR1ACNR1CNR2
SCHEMBL4871547 0.81 CNR1 (0.56) CNR1GRM2MEN1KMT2ALMNA
SCHEMBL4865103 0.80 CNR1 (0.55) AVPR2AVPR1ACNR1GRM2MEN1
SCHEMBL4864078 0.79 CNR1 (0.59) AVPR2AVPR1ACNR1MEN1KMT2A

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-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
WO-2006138656-A2 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 AVPR2 59/4885AVPR1A 40/4885CNR1 1/4885

“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.