SCHEMBL18042697

SCHEMBL18042697

CC(C)CC(=O)N1c2ccc(-c3cnn(CC4COC4)c3)cc2N(C(=O)O)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.47
▸ PAICS P22234 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ CTSC P53634 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL16722323 0.90 BRD4 (0.52) BRD4PAICSTTKCTSKCTSC
SCHEMBL16721546 0.89 BRD4 (0.60) BRD4PAICSTTKPIK3CD
SCHEMBL16721233 0.87 BRD4 (0.58) BRD4PAICSTTKCTSKCTSC
SCHEMBL21638627 0.87 BRD4 (0.46) BRD4PAICSNAMPT
SCHEMBL21638594 0.86 BRD4 (0.64) BRD4
SCHEMBL21638456 0.86 BRD4 (0.49) BRD4NAMPT
SCHEMBL21638680 0.85 BRD4 (0.48) BRD4NAMPT
SCHEMBL21638678 0.85 BRD4 (0.48) BRD4CTSKCTSCNAMPTHCRTR1
SCHEMBL21638444 0.84 BRD4 (0.47) BRD4TTKHCRTR1HCRTR2
SCHEMBL21638695 0.84 BRD4 (0.47) BRD4NAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — 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 (1 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-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885PAICS 4514/4885TTK 4015/4885

“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.

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