SCHEMBL18172373

SCHEMBL18172373

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 11/20 0.52
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HRH1 P35367 1/20 0.43
CTRC Q99895 2/20 0.40
PRCP P42785 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PSD A5PKW4 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NOTUM Q6P988 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 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
SCHEMBL18172374 0.89 P2RY14 (0.44) P2RY14ADRA2AADRA2CHRH1
SCHEMBL4328492 0.89 P2RY14 (0.52) P2RY14ADRA2AADRA2CHRH1CTRC
SCHEMBL18172436 0.87 SLC6A3 (0.42) P2RY14PRCPSMN1; SMN2PSD
SCHEMBL18172428 0.84 PRCP (0.40) P2RY14PRCPSMN1; SMN2
SCHEMBL18172465 0.82 PRCP (0.39) P2RY14PRCPSMN1; SMN2
SCHEMBL18172366 0.81 CNR2 (0.43) P2RY14PRCPSMN1; SMN2
SCHEMBL20533687 0.81 PRCP (0.42) P2RY14PRCPSMN1; SMN2
SCHEMBL18172407 0.81 PRCP (0.38) P2RY14PRCPSMN1; SMN2
SCHEMBL4321368 0.81 P2RY14 (0.45) P2RY14CTRCSMN1; SMN2RXRARXRB
SCHEMBL4326401 0.81 TP53 (0.44) P2RY14ADRA2AADRA2CHRH1PRCP

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 3175/4885ADRA2A 2487/4885ADRA2C 1145/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885ADRA2A 2487/4885ADRA2C 1145/4885

“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.