SCHEMBL18172389

SCHEMBL18172389

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
P2RY14 Q15391 3/20 0.35
ANO1 Q5XXA6 1/20 0.35
DGAT2 Q96PD7 2/20 0.34
MAP3K5 Q99683 1/20 0.34
MAP4K4 O95819 1/20 0.33
LMNA P02545 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 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
SCHEMBL18172414 0.93 CNR2 (0.44) P2RX3P2RX2CNR1CNR2P2RY14
SCHEMBL18172396 0.91 P2RX3 (0.50) P2RX3P2RX2CNR1CNR2LMNA
SCHEMBL18172447 0.91 P2RY14 (0.45) P2RX3P2RX2CNR1CNR2P2RY14
SCHEMBL18172475 0.91 P2RX3 (0.42) P2RX3P2RX2CNR1CNR2P2RY14
SCHEMBL18172450 0.90 P2RY14 (0.43) P2RX3P2RX2KDM4EP2RY14DGAT2
SCHEMBL18172451 0.88 P2RX3 (0.39) P2RX3P2RX2KDM4ECNR1CNR2
SCHEMBL18172388 0.87 P2RX3 (0.42) P2RX3P2RX2KDM4ECNR1CNR2
SCHEMBL18172381 0.87 P2RX3 (0.39) P2RX3P2RX2KDM4ECNR1CNR2
SCHEMBL18172442 0.86 P2RX3 (0.39) P2RX3P2RX2CNR1CNR2P2RY14
SCHEMBL18172501 0.85 P2RX3 (0.37) 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 9 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
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 2779/4885KDM4E 3257/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885KDM4E 3257/4885

“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.