SCHEMBL18172497

SCHEMBL18172497

CC(C)(CO)NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.48
CNR1 P21554 10/20 0.48
MAP4K4 O95819 2/20 0.42
DGAT2 Q96PD7 1/20 0.41
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
DGAT1 O75907 1/20 0.37
P2RY14 Q15391 1/20 0.36

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
SCHEMBL18172381 0.92 P2RX3 (0.39) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18172426 0.91 CNR2 (0.41) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18184246 0.90 CNR2 (0.48) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18172499 0.90 P2RY14 (0.44) CNR2CNR1DGAT2P2RX3P2RX2
SCHEMBL18184300 0.89 CNR2 (0.46) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18172421 0.87 DGAT1 (0.40) CNR2CNR1DGAT2P2RX3P2RX2
SCHEMBL18172414 0.87 CNR2 (0.44) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18172453 0.85 DGAT1 (0.37) CNR2CNR1DGAT2P2RX3P2RX2
SCHEMBL18172484 0.85 CNR2 (0.43) CNR2CNR1MAP4K4DGAT2P2RX3
SCHEMBL18173623 0.85 P2RX3 (0.37) CNR2CNR1P2RX3P2RX2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN claimed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US claimed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP claimed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 WO claimed
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US disclosed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 WO disclosed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 WO 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 (2 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-10577332-B2 Tetrazole derivatives MC2R, MC3R, GABRR3 CNR2 596/4885CNR1 122/4885MAP4K4 3996/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 CNR2 596/4885CNR1 122/4885MAP4K4 3996/4885

“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.