SCHEMBL18172491

SCHEMBL18172491

Cc1cc(-c2cc(C(=O)NC(C)(C)C3CC3)cc(-n3nnnc3C(C)(C)C)c2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.34
MAPK13 O15264 3/20 0.34
SRC P12931 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
P2RY14 Q15391 1/20 0.32
WDR5 P61964 1/20 0.31
LMNA P02545 1/20 0.31
RET P07949 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL18172482 0.93 MAPK13 (0.34) MAPK13P2RX3P2RX2P2RY14LMNA
SCHEMBL18172457 0.93 P2RY14 (0.36) MAPK13P2RX3P2RX2P2RY14RET
SCHEMBL18172505 0.90 TRPV1 (0.33) MAPK13P2RX3P2RX2P2RY14WDR5
SCHEMBL18172422 0.89 DGAT1 (0.36) MAPK13P2RX3P2RX2P2RY14WDR5
SCHEMBL18172398 0.89 P2RY14 (0.40) GRIN2BMAPK13SRCP2RX3P2RX2
SCHEMBL18172471 0.88 P2RX3 (0.42) P2RX3P2RX2P2RY14
SCHEMBL18172402 0.87 HSD11B1 (0.36) P2RX3P2RX2P2RY14
SCHEMBL18172356 0.86 P2RY14 (0.35) GRIN2BMAPK13SRCP2RX3P2RX2
SCHEMBL18172394 0.86 P2RY14 (0.45) P2RY14
SCHEMBL18172489 0.85 P2RY14 (0.41) P2RX3P2RX2P2RY14

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 GRIN2B 214/4885MAPK13 2834/4885SRC 1646/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 GRIN2B 214/4885MAPK13 2834/4885SRC 1646/4885

“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.