SCHEMBL18172441

SCHEMBL18172441

CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(F)c2)cc(-n2nnnc2C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.40
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
ANO1 Q5XXA6 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
CNR2 P34972 1/20 0.35
F10 P00742 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.34
ALPL P05186 1/20 0.34
ABL1 P00519 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
SCN9A Q15858 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL18172390 0.92 P2RY14 (0.35) P2RY14DGAT2CNR2F10PDE4A
SCHEMBL18172506 0.91 P2RY14 (0.41) P2RY14POLBAPEX1ANO1MAPT
SCHEMBL18172358 0.90 CNR2 (0.33) P2RY14ANO1CNR2F10PDE4A
SCHEMBL18172392 0.89 P2RY14 (0.40) P2RY14POLBHDAC6MAPTP2RX3
SCHEMBL18172398 0.89 P2RY14 (0.40) P2RY14POLBHDAC6MAPTP2RX3
SCHEMBL18172505 0.89 TRPV1 (0.33) P2RY14ANO1CNR2F10PDE4A
SCHEMBL18172365 0.89 P2RY14 (0.45) P2RY14MAPTSCN9AHSD11B1
SCHEMBL18172409 0.87 P2RY14 (0.42) P2RY14POLBANO1CNR2MAPT
SCHEMBL18172499 0.87 P2RY14 (0.44) P2RY14POLBDGAT2CNR2MAPT
SCHEMBL18172456 0.85 P2RY14 (0.41) P2RY14SCN9A

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 P2RY14 3175/4885POLB 2300/4885APEX1 1985/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885POLB 2300/4885APEX1 1985/4885

“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.