SCHEMBL18172397

SCHEMBL18172397

CCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
PRCP P42785 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
POLB P06746 1/20 0.35
P2RY14 Q15391 2/20 0.35
ANO1 Q5XXA6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TTK P33981 1/20 0.33
MAP4K4 O95819 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
SCHEMBL18172484 0.93 CNR2 (0.43) P2RX3P2RX2PRCPTP53CNR2
SCHEMBL18172420 0.92 P2RX3 (0.45) P2RX3P2RX2CNR2CNR1POLB
SCHEMBL18172407 0.91 PRCP (0.38) P2RX3P2RX2PRCPTP53CNR2
SCHEMBL18172440 0.91 P2RY14 (0.42) P2RX3P2RX2PRCPTP53CNR2
SCHEMBL18172443 0.88 PRCP (0.39) P2RX3P2RX2PRCPTP53P2RY14
SCHEMBL18172401 0.88 PRCP (0.37) P2RX3P2RX2PRCPTP53CNR2
SCHEMBL18172388 0.86 P2RX3 (0.42) P2RX3P2RX2TP53KDM4ECNR2
SCHEMBL18172381 0.85 P2RX3 (0.39) P2RX3P2RX2TP53KDM4ECNR2
SCHEMBL18172468 0.84 P2RX3 (0.43) P2RX3P2RX2CNR2CNR1POLB
SCHEMBL18172366 0.84 CNR2 (0.43) P2RX3P2RX2PRCPCNR2CNR1

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 2779/4885PRCP 3329/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885PRCP 3329/4885

“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.