SCHEMBL23734005

SCHEMBL23734005

CC(C)OC(=O)N1C[C@H](C)N(CC2CC2)c2ccc(-c3cnn(CCN4CCOCC4)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 4/20 0.42
▸ BRD4 O60885 4/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ LIPG Q9Y5X9 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ WDR5 P61964 3/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ PHGDH O43175 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
SCHEMBL17018106 0.87 BRD4 (0.51) LIPCBRD4S1PR1PIK3CALIPG
SCHEMBL17018099 0.87 BRD4 (0.56) LIPCBRD4S1PR1PIK3CALIPG
SCHEMBL17018114 0.86 BRD4 (0.47) LIPCBRD4S1PR1PIK3CALIPG
SCHEMBL21249889 0.85 BRD4 (0.40) LIPCBRD4PIK3CALIPGTBK1
SCHEMBL17018232 0.80 BRD4 (0.56) BRD4PIK3CA
SCHEMBL17018243 0.80 BRD4 (0.51) BRD4PIK3CATBK1FGFR1
SCHEMBL17018269 0.80 BRD4 (0.47) LIPCBRD4PIK3CALIPGFGFR1
SCHEMBL17018102 0.79 BRD4 (0.61) BRD4PIK3CAFGFR1
SCHEMBL17018120 0.78 BRD4 (0.51) BRD4PIK3CAGSK3BDYRK1ATBK1
SCHEMBL17018110 0.78 BRD4 (0.55) BRD4PIK3CAGSK3BDYRK1ATBK1

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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 — — 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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 LIPC 870/4885BRD4 1/4885S1PR1 1838/4885

“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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