SCHEMBL20533465

SCHEMBL20533465

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
P2RY14 Q15391 3/20 0.37
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAP3K5 Q99683 5/20 0.34
CNR1 P21554 1/20 0.34
CCR1 P32246 1/20 0.33
MDM2 Q00987 2/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL20533665 0.91 P2RX3 (0.46) P2RX3P2RX2P2RY14MAPTMAP3K5
SCHEMBL18172451 0.91 P2RX3 (0.39) P2RX3P2RX2P2RY14POLBMAP3K5
SCHEMBL20533797 0.91 P2RY14 (0.47) P2RX3P2RX2P2RY14LMNA
SCHEMBL18172351 0.90 CNR1 (0.43) P2RX3P2RX2P2RY14POLBMAPT
SCHEMBL18172452 0.87 NOTUM (0.40) P2RX3P2RX2P2RY14CCR1LMNA
SCHEMBL18172475 0.87 P2RX3 (0.42) P2RX3P2RX2P2RY14POLBMAPT
SCHEMBL18172385 0.87 CNR2 (0.44) P2RX3P2RX2MAPTMAP3K5CNR1
SCHEMBL18172386 0.87 P2RY14 (0.38) P2RX3P2RX2P2RY14CNR1CCR1
SCHEMBL18172500 0.87 P2RY14 (0.40) P2RX3P2RX2P2RY14MAPTCCR1
SCHEMBL18172480 0.86 P2RX3 (0.38) P2RX3P2RX2P2RY14POLBMAPT

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 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RX3 1659/4885P2RX2 2779/4885P2RY14 3175/4885

“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.