SCHEMBL18172340

SCHEMBL18172340

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 11/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
TP53 P04637 1/20 0.39
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 2/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
HSD11B1 P28845 1/20 0.37
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PTGS2 P35354 2/20 0.36
TSPO P30536 1/20 0.36

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
SCHEMBL4051058 0.89 P2RX3 (0.46) P2RY14TP53OPRD1KCNH2P2RX3
SCHEMBL4320039 0.88 P2RY14 (0.46) P2RY14TP53P2RX3P2RX2PPARA
SCHEMBL18172399 0.88 ALDH1A1 (0.40) TP53P2RX3P2RX2ALDH1A1HPGD
SCHEMBL18172371 0.88 P2RY14 (0.55) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL4319227 0.87 KDM4A (0.38) P2RY14TP53ALDH1A1HPGDPTGS2
SCHEMBL18172450 0.85 P2RY14 (0.43) P2RY14P2RX3P2RX2ALDH1A1HPGD
SCHEMBL4324127 0.85 MAPK14 (0.36) P2RY14TP53HSD11B1ALDH1A1
SCHEMBL18172367 0.84 LMNA (0.44) P2RY14BCL2L1BADTP53OPRD1
SCHEMBL18172451 0.82 P2RX3 (0.39) P2RY14P2RX3P2RX2ALDH1A1HPGD
SCHEMBL18172389 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 6 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

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 3175/4885BCL2L1 3280/4885BAD 3214/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885BCL2L1 3280/4885BAD 3214/4885

“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.