SCHEMBL18172483

SCHEMBL18172483

CCc1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.57
P2RX2 Q9UBL9 5/20 0.57
LMNA P02545 2/20 0.36
P2RY14 Q15391 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18172437 0.88 P2RX3 (0.62) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL18172471 0.87 P2RX3 (0.42) P2RX3P2RX2P2RY14ALDH1A1
SCHEMBL18172481 0.87 P2RX3 (0.60) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL18172488 0.86 P2RX3 (0.42) P2RX3P2RX2P2RY14
SCHEMBL10244334 0.86 P2RX3 (0.59) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL18172438 0.85 P2RX3 (0.45) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL18172431 0.85 P2RX3 (0.59) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL4321491 0.85 P2RX3 (0.60) P2RX3P2RX2LMNAALDH1A1
SCHEMBL10245466 0.82 P2RX3 (0.59) P2RX3P2RX2LMNAP2RY14TP53
SCHEMBL18173388 0.82 P2RX3 (0.44) P2RX3P2RX2LMNAP2RY14

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 8 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

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 P2RX3 1659/4885P2RX2 2779/4885LMNA 4726/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885LMNA 4726/4885

“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.