SCHEMBL4844568

SCHEMBL4844568

CSc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CFTR P13569 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
P2RX3 P56373 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PSD A5PKW4 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.37

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
SCHEMBL14003375 0.94 LMNA (0.39) CNR1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL4835555 0.89 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL14003377 0.87 CNR1 (0.49) CNR1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL4841651 0.86 CNR1 (0.45) CNR1NR1H2NR1H3CFTRCYP3A4
SCHEMBL4836343 0.86 CNR1 (0.46) CNR1NR1H2NR1H3CFTRCYP3A4
SCHEMBL4836604 0.84 CNR1 (0.48) CNR1NR1H2NR1H3CFTRCYP3A4
SCHEMBL14003374 0.80 CNR1 (0.42) CNR1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL4842053 0.79 CNR1 (0.47) CNR1NR1H2NR1H3CFTRCYP3A4
SCHEMBL4832107 0.78 CNR1 (0.46) CNR1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL14003286 0.76 SLC2A1 (0.42) CNR1NR1H2NR1H3CYP3A4CYP2C9

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-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 CNR1 1/4885NR1H2 483/4885NR1H3 734/4885

“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.