SCHEMBL18172372

SCHEMBL18172372

CC(C)(C)c1nnnn1-c1cc(C(=O)O)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 16/20 0.43
OPRD1 P41143 3/20 0.40
KCNH2 Q12809 2/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
TMEM97 Q5BJF2 2/20 0.40
TP53 P04637 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSPO P30536 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL4319870 0.89 P2RY14 (0.44) P2RY14OPRD1KCNH2TMEM97TP53
SCHEMBL18172433 0.88 P2RY14 (0.43) P2RY14OPRD1KCNH2TMEM97TP53
SCHEMBL18172418 0.88 ALDH1A1 (0.40) TP53
SCHEMBL18172499 0.87 P2RY14 (0.44) P2RY14
SCHEMBL18172367 0.84 LMNA (0.44) P2RY14OPRD1KCNH2BCL2L1BAD
SCHEMBL18172421 0.84 DGAT1 (0.40) P2RY14HSD11B1
SCHEMBL18172497 0.83 CNR2 (0.48) P2RY14
SCHEMBL18172381 0.83 P2RX3 (0.39) P2RY14TP53
SCHEMBL18172453 0.82 DGAT1 (0.37) P2RY14TP53
SCHEMBL18172422 0.82 DGAT1 (0.36) P2RY14

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 7 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 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 3175/4885OPRD1 116/4885KCNH2 936/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885OPRD1 116/4885KCNH2 936/4885

“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.