SCHEMBL20533797

SCHEMBL20533797

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 18/20 0.47
OPRD1 P41143 4/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
TSPO P30536 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL18172357 0.92 P2RY14 (0.54) P2RY14OPRD1KCNH2LMNAP2RX3
SCHEMBL18172451 0.91 P2RX3 (0.39) P2RY14LMNAP2RX3P2RX2
SCHEMBL20533665 0.91 P2RX3 (0.46) P2RY14LMNAP2RX3P2RX2
SCHEMBL20533465 0.91 P2RX3 (0.38) P2RY14LMNAP2RX3P2RX2
SCHEMBL18172447 0.89 P2RY14 (0.45) P2RY14OPRD1KCNH2LMNAP2RX3
SCHEMBL18172395 0.89 CNR1 (0.46) P2RY14OPRD1KCNH2LMNAP2RX3
SCHEMBL20533664 0.87 P2RY14 (0.44) P2RY14OPRD1KCNH2LMNAP2RX3
SCHEMBL18172446 0.87 P2RY14 (0.44) P2RY14OPRD1KCNH2LMNAP2RX3
SCHEMBL18172493 0.87 P2RY14 (0.48) P2RY14OPRD1KCNH2LMNATMEM97
SCHEMBL18172371 0.85 P2RY14 (0.55) P2RY14OPRD1KCNH2TMEM97TSPO

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 6 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

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 3175/4885OPRD1 116/4885KCNH2 936/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885OPRD1 116/4885KCNH2 936/4885

“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.