SCHEMBL20533665

SCHEMBL20533665

Cc1ccc(-c2cc(C(=O)NC(C)(C)C(F)(F)F)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.46
P2RX2 Q9UBL9 3/20 0.46
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NLRP1 Q9C000 1/20 0.38
P2RY14 Q15391 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL18172451 0.92 P2RX3 (0.39) P2RX3P2RX2LMNAHPGDP2RY14
SCHEMBL20533465 0.91 P2RX3 (0.38) P2RX3P2RX2LMNAMAPTP2RY14
SCHEMBL20533797 0.91 P2RY14 (0.47) P2RX3P2RX2LMNAP2RY14
SCHEMBL18172427 0.90 P2RX3 (0.40) P2RX3P2RX2LMNAP2RY14MAP3K5
SCHEMBL4331537 0.90 P2RX3 (0.49) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL11990793 0.89 P2RX3 (0.48) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18172396 0.86 P2RX3 (0.50) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18184304 0.86 P2RX3 (0.48) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18184298 0.86 P2RX3 (0.43) P2RX3P2RX2LMNAHSP90AA1MAPT
SCHEMBL18172494 0.85 P2RX3 (0.46) P2RX3P2RX2LMNATP53HSP90AA1

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 2779/4885LMNA 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.