SCHEMBL18172465

SCHEMBL18172465

CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2nnnc2C2CC2)c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
P2RY14 Q15391 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
HSD11B1 P28845 1/20 0.34
TP53 P04637 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CNR1 P21554 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL18172488 0.92 P2RX3 (0.42) P2RY14P2RX3P2RX2
SCHEMBL18172428 0.92 PRCP (0.40) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172401 0.91 PRCP (0.37) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172430 0.89 P2RX3 (0.37) P2RY14P2RX3P2RX2HSD11B1IDO1
SCHEMBL18172407 0.88 PRCP (0.38) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL20533687 0.88 PRCP (0.42) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172366 0.88 CNR2 (0.43) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172402 0.88 HSD11B1 (0.36) P2RY14P2RX3P2RX2HSD11B1IDO1
SCHEMBL18184305 0.86 P2RX3 (0.37) P2RY14P2RX3P2RX2HSD11B1CNR1
SCHEMBL18172417 0.84 PRCP (0.38) PRCPP2RY14SMN1; SMN2P2RX3P2RX2

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
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
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 PRCP 3329/4885P2RY14 3175/4885SMN1; SMN2 3684/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 PRCP 3329/4885P2RY14 3175/4885SMN1; SMN2 3684/4885

“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.