SCHEMBL18172437

SCHEMBL18172437

CCc1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.62
P2RX2 Q9UBL9 1/20 0.62
P2RY14 Q15391 2/20 0.42
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL18172481 0.92 P2RX3 (0.60) P2RX3P2RX2P2RY14ALDH1A1RAB9A
SCHEMBL10244334 0.91 P2RX3 (0.59) P2RX3P2RX2P2RY14ALDH1A1RAB9A
SCHEMBL18172431 0.90 P2RX3 (0.59) P2RX3P2RX2P2RY14ALDH1A1RAB9A
SCHEMBL18172483 0.88 P2RX3 (0.57) P2RX3P2RX2P2RY14ALDH1A1LMNA
SCHEMBL18172353 0.87 P2RX3 (0.47) P2RX3P2RX2P2RY14ALDH1A1RAB9A
SCHEMBL10245466 0.87 P2RX3 (0.59) P2RX3P2RX2P2RY14ALDH1A1LMNA
SCHEMBL18172445 0.85 P2RX3 (0.46) P2RX3P2RX2P2RY14ALDH1A1RAB9A
SCHEMBL4108678 0.85 P2RX3 (0.60) P2RX3P2RX2P2RY14ALDH1A1LMNA
SCHEMBL10245482 0.84 P2RX3 (0.61) P2RX3P2RX2P2RY14ALDH1A1LMNA
SCHEMBL18172362 0.84 P2RX3 (0.60) P2RX3P2RX2ALDH1A1LMNANPSR1

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 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885

“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.