SCHEMBL18172385

SCHEMBL18172385

CC(C)c1nnnn1-c1cc(C(=O)NC(C)(C)CO)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 7/20 0.44
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
GABRA5 P31644 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAP4K4 O95819 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
SYK P43405 1/20 0.35
MAP3K5 Q99683 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
SCHEMBL18172475 0.93 P2RX3 (0.42) CNR2CNR1P2RX3P2RX2ALDH1A1
SCHEMBL18184304 0.91 P2RX3 (0.48) CNR2CNR1P2RX3P2RX2MAPT
SCHEMBL18172414 0.91 CNR2 (0.44) CNR2CNR1P2RX3P2RX2MAP4K4
SCHEMBL18172351 0.90 CNR1 (0.43) CNR1P2RX3P2RX2ALDH1A1GAA
SCHEMBL18172395 0.89 CNR1 (0.46) CNR2CNR1P2RX3P2RX2ALDH1A1
SCHEMBL18172410 0.87 CNR2 (0.46) CNR2CNR1P2RX3P2RX2GABRA5
SCHEMBL20533465 0.87 P2RX3 (0.38) CNR1P2RX3P2RX2MAPTMAP3K5
SCHEMBL18184246 0.87 CNR2 (0.48) CNR2CNR1P2RX3P2RX2GABRA5
SCHEMBL18172480 0.86 P2RX3 (0.38) CNR2CNR1P2RX3P2RX2ALDH1A1
SCHEMBL18172496 0.85 P2RX3 (0.38) CNR1P2RX3P2RX2ALDH1A1GAA

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 CNR2 596/4885CNR1 122/4885P2RX3 1659/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 CNR2 596/4885CNR1 122/4885P2RX3 1659/4885

“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.