SCHEMBL18172500

SCHEMBL18172500

CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2nnnc2C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 7/20 0.40
CCR1 P32246 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ORAI1 Q96D31 1/20 0.34
LMNA P02545 2/20 0.34
PTGS2 P35354 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18172386 0.94 P2RY14 (0.38) P2RY14CCR1P2RX3P2RX2ORAI1
SCHEMBL18172466 0.92 P2RY14 (0.47) P2RY14CCR1P2RX3P2RX2LMNA
SCHEMBL18172452 0.89 NOTUM (0.40) P2RY14CCR1P2RX3P2RX2LMNA
SCHEMBL18172375 0.89 P2RY14 (0.39) P2RY14CCR1P2RX3P2RX2
SCHEMBL18172416 0.89 CNR1 (0.44) P2RY14CCR1P2RX3P2RX2
SCHEMBL20533465 0.87 P2RX3 (0.38) P2RY14CCR1P2RX3P2RX2LMNA
SCHEMBL18172493 0.86 P2RY14 (0.48) P2RY14LMNA
SCHEMBL18184298 0.85 P2RX3 (0.43) P2RY14P2RX3P2RX2LMNAPTGS2
SCHEMBL18172421 0.85 DGAT1 (0.40) P2RY14P2RX3P2RX2PTGS2SMN1; SMN2
SCHEMBL20533687 0.85 PRCP (0.42) P2RY14CCR1P2RX3P2RX2LMNA

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 10 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

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 3175/4885CCR1 1275/4885P2RX3 1659/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885CCR1 1275/4885P2RX3 1659/4885

“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.