SCHEMBL18172495

SCHEMBL18172495

CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.36
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL18172356 0.93 P2RY14 (0.35) P2RY14P2RX3P2RX2DGAT1LMNA
SCHEMBL18172390 0.92 P2RY14 (0.35) P2RY14P2RX3P2RX2DGAT1
SCHEMBL18172506 0.91 P2RY14 (0.41) P2RY14P2RX3P2RX2DGAT1
SCHEMBL18172421 0.90 DGAT1 (0.40) P2RY14P2RX3P2RX2DGAT1
SCHEMBL18172386 0.89 P2RY14 (0.38) P2RY14P2RX3P2RX2
SCHEMBL18184298 0.88 P2RX3 (0.43) P2RY14P2RX3P2RX2LMNA
SCHEMBL18172493 0.87 P2RY14 (0.48) P2RY14LMNA
SCHEMBL18172502 0.87 P2RY14 (0.33) P2RY14P2RX3P2RX2DGAT1
SCHEMBL18172457 0.86 P2RY14 (0.36) P2RY14P2RX3P2RX2
SCHEMBL18172392 0.83 P2RY14 (0.40) P2RY14P2RX3P2RX2LMNA

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 9 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
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.