SCHEMBL18172453

SCHEMBL18172453

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
P2RY14 Q15391 3/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PRKD1 Q15139 1/20 0.31
PTGS2 P35354 2/20 0.31

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
SCHEMBL18184253 0.91 P2RY14 (0.46) P2RY14LMNA
SCHEMBL18172502 0.91 P2RY14 (0.33) DGAT1P2RY14P2RX3P2RX2DGAT2
SCHEMBL18172499 0.89 P2RY14 (0.44) DGAT1P2RY14P2RX3P2RX2KDM4E
SCHEMBL18172358 0.88 CNR2 (0.33) P2RY14P2RX3P2RX2ANO1JAK2
SCHEMBL18172421 0.86 DGAT1 (0.40) DGAT1P2RY14P2RX3P2RX2KDM4E
SCHEMBL18172497 0.85 CNR2 (0.48) DGAT1P2RY14P2RX3P2RX2DGAT2
SCHEMBL18172381 0.85 P2RX3 (0.39) DGAT1P2RY14P2RX3P2RX2KDM4E
SCHEMBL18172456 0.85 P2RY14 (0.41) P2RY14
SCHEMBL18172422 0.84 DGAT1 (0.36) DGAT1P2RY14P2RX3P2RX2ALDH1A1
SCHEMBL18172372 0.82 P2RY14 (0.43) P2RY14TP53

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 DGAT1 2826/4885P2RY14 3175/4885P2RX3 1659/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 DGAT1 2826/4885P2RY14 3175/4885P2RX3 1659/4885

“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.