SCHEMBL18172409

SCHEMBL18172409

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.42
CNR1 P21554 2/20 0.42
HSD11B1 P28845 1/20 0.41
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ANO1 Q5XXA6 2/20 0.35
CNR2 P34972 1/20 0.35
JAK2 O60674 1/20 0.34
KCNH2 Q12809 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
SCHEMBL18172466 0.92 P2RY14 (0.47) P2RY14CNR1HSD11B1P2RX3P2RX2
SCHEMBL18172445 0.90 P2RX3 (0.46) P2RY14P2RX3P2RX2POLBMAPT
SCHEMBL18172386 0.90 P2RY14 (0.38) P2RY14CNR1HSD11B1P2RX3P2RX2
SCHEMBL18184246 0.90 CNR2 (0.48) CNR1P2RX3P2RX2CNR2
SCHEMBL18172364 0.90 P2RX3 (0.39) P2RY14CNR1P2RX3P2RX2ANO1
SCHEMBL18172499 0.89 P2RY14 (0.44) P2RY14CNR1P2RX3P2RX2POLB
SCHEMBL18172419 0.88 P2RY14 (0.43) P2RY14CNR1HSD11B1P2RX3P2RX2
SCHEMBL18172402 0.88 HSD11B1 (0.36) P2RY14CNR1HSD11B1P2RX3P2RX2
SCHEMBL18172506 0.88 P2RY14 (0.41) P2RY14CNR1HSD11B1P2RX3P2RX2
SCHEMBL18172487 0.88 P2RY14 (0.56) P2RY14KCNH2

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 3175/4885CNR1 122/4885HSD11B1 259/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885CNR1 122/4885HSD11B1 259/4885

“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.