SCHEMBL20533433

SCHEMBL20533433

CC(C)(NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KCNJ1 P48048 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPT P10636 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
SCHEMBL18184250 0.92 TSHR (0.45) P2RY14NPC1RAB9ATP53KMT2A
SCHEMBL20533434 0.91 P2RY14 (0.44) P2RY14NPC1RAB9ATP53KMT2A
SCHEMBL18172458 0.86 P2RY14 (0.42) P2RY14NPC1RAB9ATP53KMT2A
SCHEMBL18706484 0.86 P2RY14 (0.38) P2RY14
SCHEMBL18172427 0.86 P2RX3 (0.40) P2RY14NPC1RAB9AKMT2ATSHR
SCHEMBL18172352 0.85 P2RY14 (0.41) P2RY14NPC1RAB9ATP53KMT2A
SCHEMBL18172387 0.83 P2RY14 (0.41) P2RY14NPC1RAB9ATP53KMT2A
SCHEMBL18172460 0.83 P2RY14 (0.62) P2RY14NPC1RAB9ASMN1; SMN2
SCHEMBL18172377 0.81 P2RY14 (0.39) P2RY14KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4321393 0.81 TSHR (0.49) P2RY14NPC1RAB9ATP53KMT2A

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 3175/4885NPC1 2115/4885RAB9A 1167/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885NPC1 2115/4885RAB9A 1167/4885

“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.