SCHEMBL18172489

SCHEMBL18172489

CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(C3CC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 15/20 0.41
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
HRH1 P35367 1/20 0.34
DGAT1 O75907 2/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TYRO3 Q06418 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
SCHEMBL18172470 0.92 P2RY14 (0.43) P2RY14P2RX3P2RX2ADRA2AADRA2C
SCHEMBL18172471 0.91 P2RX3 (0.42) P2RY14P2RX3P2RX2
SCHEMBL18172402 0.90 HSD11B1 (0.36) P2RY14P2RX3P2RX2
SCHEMBL18172422 0.90 DGAT1 (0.36) P2RY14P2RX3P2RX2DGAT1TYRO3
SCHEMBL18172394 0.88 P2RY14 (0.45) P2RY14OPRD1SIGMAR1
SCHEMBL18172457 0.86 P2RY14 (0.36) P2RY14P2RX3P2RX2TYRO3
SCHEMBL18172491 0.85 GRIN2B (0.34) P2RY14P2RX3P2RX2
SCHEMBL18172482 0.85 MAPK13 (0.34) P2RY14P2RX3P2RX2
SCHEMBL18172505 0.84 TRPV1 (0.33) P2RY14P2RX3P2RX2
SCHEMBL18172488 0.82 P2RX3 (0.42) P2RY14P2RX3P2RX2

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.