SCHEMBL18172428

SCHEMBL18172428

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
P2RY14 Q15391 4/20 0.40
CNR1 P21554 2/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18172465 0.92 PRCP (0.39) PRCPP2RY14CNR1HSD11B1SMN1; SMN2
SCHEMBL18172472 0.91 P2RX3 (0.43) P2RY14SMN1; SMN2P2RX3P2RX2POLB
SCHEMBL18172366 0.91 CNR2 (0.43) PRCPP2RY14CNR1SMN1; SMN2P2RX3
SCHEMBL20533687 0.91 PRCP (0.42) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172407 0.91 PRCP (0.38) PRCPP2RY14CNR1SMN1; SMN2P2RX3
SCHEMBL18172440 0.90 P2RY14 (0.42) PRCPP2RY14CNR1SMN1; SMN2P2RX3
SCHEMBL18172485 0.88 P2RY14 (0.45) PRCPP2RY14HSD11B1
SCHEMBL18172417 0.87 PRCP (0.38) PRCPP2RY14SMN1; SMN2P2RX3P2RX2
SCHEMBL18172436 0.85 SLC6A3 (0.42) PRCPP2RY14SMN1; SMN2TP53MAPT
SCHEMBL18172419 0.85 P2RY14 (0.43) P2RY14CNR1HSD11B1P2RX3P2RX2

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 9 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 claimed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US claimed
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 PRCP 3329/4885P2RY14 3175/4885CNR1 122/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 PRCP 3329/4885P2RY14 3175/4885CNR1 122/4885

“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.