SCHEMBL18172399

SCHEMBL18172399

COC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
GCGR P47871 1/20 0.38
GRM5 P41594 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPY5R Q15761 1/20 0.36
IKBKB O14920 1/20 0.36
TP53 P04637 1/20 0.36
MAP2K4 P45985 1/20 0.35

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
SCHEMBL18172405 0.90 P2RX3 (0.47) ALDH1A1HPGDHTTDHODHP2RX3
SCHEMBL18172346 0.89 ALDH1A1 (0.40) ALDH1A1HPGDHTTDHODHP2RX3
SCHEMBL18172455 0.89 P2RY14 (0.43)
SCHEMBL18172340 0.88 P2RY14 (0.41) ALDH1A1HPGDP2RX3P2RX2PTGS2
SCHEMBL18172449 0.85 PIK3CD (0.42) ALDH1A1HPGDHTTDHODHP2RX3
SCHEMBL18172450 0.84 P2RY14 (0.43) ALDH1A1HPGDP2RX3P2RX2KDM4E
SCHEMBL18172418 0.83 ALDH1A1 (0.40) ALDH1A1HPGDHTTDHODHP2RX3
SCHEMBL18172451 0.82 P2RX3 (0.39) ALDH1A1HPGDP2RX3P2RX2PTGS2
SCHEMBL18172389 0.81 P2RX3 (0.42) P2RX3P2RX2KDM4ELMNA
SCHEMBL18172414 0.81 CNR2 (0.44) P2RX3P2RX2

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 5 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-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 ALDH1A1 1477/4885HPGD 4414/4885HTT 394/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 ALDH1A1 1477/4885HPGD 4414/4885HTT 394/4885

“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.