SCHEMBL18172501

SCHEMBL18172501

CC(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
P2RY14 Q15391 3/20 0.35
MAP3K5 Q99683 3/20 0.34
TTK P33981 1/20 0.34
LMNA P02545 1/20 0.33
HPGDS O60760 1/20 0.33
TYRO3 Q06418 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL18172438 0.92 P2RX3 (0.45) P2RX3P2RX2P2RY14LMNA
SCHEMBL20533664 0.91 P2RY14 (0.44) P2RX3P2RX2P2RY14LMNA
SCHEMBL18184305 0.91 P2RX3 (0.37) P2RX3P2RX2P2RY14MAP3K5TYRO3
SCHEMBL18172376 0.91 P2RX3 (0.39) P2RX3P2RX2P2RY14MAP3K5LMNA
SCHEMBL18172450 0.89 P2RY14 (0.43) P2RX3P2RX2P2RY14MAP3K5LMNA
SCHEMBL18172486 0.88 P2RX3 (0.37) P2RX3P2RX2P2RY14TTKLMNA
SCHEMBL18172422 0.87 DGAT1 (0.36) P2RX3P2RX2P2RY14TTKHPGDS
SCHEMBL18172401 0.86 PRCP (0.37) P2RX3P2RX2P2RY14TTKHPGDS
SCHEMBL18172451 0.86 P2RX3 (0.39) P2RX3P2RX2P2RY14MAP3K5LMNA
SCHEMBL18172389 0.85 P2RX3 (0.42) P2RX3P2RX2P2RY14MAP3K5LMNA

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 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885

“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.