SCHEMBL18172407

SCHEMBL18172407

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
P2RY14 Q15391 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ANO1 Q5XXA6 2/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR1 P32246 1/20 0.33
ACKR3 P25106 1/20 0.33
TP53 P04637 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
SCHEMBL18172366 0.93 CNR2 (0.43) PRCPP2RX3P2RX2P2RY14SMN1; SMN2
SCHEMBL18172420 0.92 P2RX3 (0.45) P2RX3P2RX2P2RY14CNR1CNR2
SCHEMBL18172397 0.91 P2RX3 (0.37) PRCPP2RX3P2RX2P2RY14ANO1
SCHEMBL18172428 0.91 PRCP (0.40) PRCPP2RX3P2RX2P2RY14SMN1; SMN2
SCHEMBL18172465 0.88 PRCP (0.39) PRCPP2RX3P2RX2P2RY14SMN1; SMN2
SCHEMBL20533687 0.87 PRCP (0.42) PRCPP2RX3P2RX2P2RY14SMN1; SMN2
SCHEMBL18172474 0.86 P2RX3 (0.42) P2RX3P2RX2ANO1CNR1CNR2
SCHEMBL18172417 0.85 PRCP (0.38) PRCPP2RX3P2RX2P2RY14SMN1; SMN2
SCHEMBL18172364 0.85 P2RX3 (0.39) P2RX3P2RX2P2RY14ANO1CNR1
SCHEMBL18172468 0.84 P2RX3 (0.43) P2RX3P2RX2P2RY14CNR1CNR2

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

“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.