SCHEMBL18172364

SCHEMBL18172364

CCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2nnnc2C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
ANO1 Q5XXA6 2/20 0.38
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RY14 Q15391 1/20 0.35

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
SCHEMBL18172375 0.92 P2RY14 (0.39) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18184246 0.92 CNR2 (0.48) P2RX3P2RX2CNR1CNR2
SCHEMBL18172381 0.90 P2RX3 (0.39) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18172409 0.90 P2RY14 (0.42) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18172474 0.89 P2RX3 (0.42) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18172475 0.87 P2RX3 (0.42) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18172386 0.86 P2RY14 (0.38) P2RX3P2RX2CNR1CNR2KCNH2
SCHEMBL18172415 0.86 HPGD (0.40) CNR1CNR2ANO1L3MBTL1
SCHEMBL18172407 0.85 PRCP (0.38) P2RX3P2RX2CNR1CNR2ANO1
SCHEMBL18172416 0.85 CNR1 (0.44) P2RX3P2RX2CNR1CNR2P2RY14

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 10 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

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 2779/4885CNR1 122/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885CNR1 122/4885

“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.