SCHEMBL18172499

SCHEMBL18172499

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.44
DGAT1 O75907 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
JAK2 O60674 1/20 0.34
PTGS2 P35354 2/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18172421 0.91 DGAT1 (0.40) P2RY14DGAT1P2RX3P2RX2DGAT2
SCHEMBL18172445 0.90 P2RX3 (0.46) P2RY14P2RX3P2RX2MAPTPOLB
SCHEMBL18172381 0.90 P2RX3 (0.39) P2RY14DGAT1P2RX3P2RX2DGAT2
SCHEMBL18172497 0.90 CNR2 (0.48) P2RY14DGAT1P2RX3P2RX2DGAT2
SCHEMBL18172487 0.90 P2RY14 (0.56) P2RY14LMNA
SCHEMBL18172506 0.90 P2RY14 (0.41) P2RY14DGAT1P2RX3P2RX2MAPT
SCHEMBL18172409 0.89 P2RY14 (0.42) P2RY14P2RX3P2RX2MAPTPOLB
SCHEMBL18172453 0.89 DGAT1 (0.37) P2RY14DGAT1P2RX3P2RX2DGAT2
SCHEMBL18172344 0.88 P2RY14 (0.45) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18172422 0.88 DGAT1 (0.36) P2RY14DGAT1P2RX3P2RX2SCN10A

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