SCHEMBL18172344

SCHEMBL18172344

Cc1nnnn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.45
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
DGAT2 Q96PD7 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
POLB P06746 1/20 0.37
PTK2 Q05397 1/20 0.37
PTGS2 P35354 3/20 0.37
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL18172353 0.91 P2RX3 (0.47) P2RY14P2RX3P2RX2MAPTLMNA
SCHEMBL18172377 0.91 P2RY14 (0.39) P2RY14P2RX3P2RX2MAPTLMNA
SCHEMBL18172388 0.90 P2RX3 (0.42) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18184300 0.90 CNR2 (0.46) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18172419 0.89 P2RY14 (0.43) P2RY14P2RX3P2RX2MAPTLMNA
SCHEMBL18172499 0.88 P2RY14 (0.44) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18172486 0.88 P2RX3 (0.37) P2RY14P2RX3P2RX2MAPTLMNA
SCHEMBL18172450 0.86 P2RY14 (0.43) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18172440 0.85 P2RY14 (0.42) P2RY14P2RX3P2RX2DGAT2MAPT
SCHEMBL18172367 0.84 LMNA (0.44) P2RY14P2RX3P2RX2LMNAPTGS2

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