SCHEMBL18172432

SCHEMBL18172432

COC(=O)c1cc(-c2ccc(F)cc2)cc(-n2nnnc2C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TP53 P04637 1/20 0.42
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
GRM5 P41594 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
PTGS2 P35354 1/20 0.37
NPY5R Q15761 1/20 0.37
PRCP P42785 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 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
SCHEMBL18172476 0.91 MAPT (0.44) CYP11B1CYP11B2ALDH1A1HPGDHTT
SCHEMBL18172436 0.90 SLC6A3 (0.42) TP53SLC6A3ALDH1A1HPGDHTT
SCHEMBL18172374 0.87 P2RY14 (0.44) TP53
SCHEMBL18172440 0.85 P2RY14 (0.42) CYP11B1CYP11B2TP53MAPTPRCP
SCHEMBL18172449 0.84 PIK3CD (0.42) CYP11B1CYP11B2TP53ALDH1A1HPGD
SCHEMBL18172401 0.82 PRCP (0.37) TP53ALDH1A1MAPTPRCPSMN1; SMN2
SCHEMBL18172443 0.82 PRCP (0.39) TP53ALDH1A1MAPTPRCPSMN1; SMN2
SCHEMBL18172397 0.82 P2RX3 (0.37) TP53ALDH1A1PRCPKDM4EPOLB
SCHEMBL18172484 0.82 CNR2 (0.43) TP53PRCP
SCHEMBL18172418 0.81 ALDH1A1 (0.40) CYP11B1CYP11B2TP53ALDH1A1HPGD

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 CYP11B1 211/4885CYP11B2 377/4885TP53 4190/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 CYP11B1 211/4885CYP11B2 377/4885TP53 4190/4885

“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.