SCHEMBL18172374

SCHEMBL18172374

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 16/20 0.44
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 0.39
HRH1 P35367 1/20 0.39
TP53 P04637 1/20 0.38
OPRD1 P41143 4/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
ADRA2B P18089 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
SCHEMBL18172373 0.89 P2RY14 (0.52) P2RY14ADRA2AADRA2CHRH1
SCHEMBL4328492 0.89 P2RY14 (0.52) P2RY14ADRA2AADRA2CHRH1
SCHEMBL18172432 0.87 CYP11B1 (0.43) TP53
SCHEMBL4329520 0.87 PRCP (0.40) P2RY14TP53
SCHEMBL4326401 0.85 TP53 (0.44) P2RY14ADRA2AADRA2CHRH1TP53
SCHEMBL18172440 0.84 P2RY14 (0.42) P2RY14TP53
SCHEMBL18172401 0.82 PRCP (0.37) P2RY14TP53
SCHEMBL18172443 0.82 PRCP (0.39) P2RY14TP53
SCHEMBL18172397 0.81 P2RX3 (0.37) P2RY14TP53
SCHEMBL18172484 0.81 CNR2 (0.43) P2RY14TP53

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 3175/4885BCL2L1 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.