SCHEMBL16905795

SCHEMBL16905795

COc1cc2c(ccc(=O)n2CCN2CCOCC2)cc1-c1c(C)noc1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 16/20 0.51
▸ BRD4 O60885 15/20 0.51
▸ BRD2 P25440 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ EP300 Q09472 1/20 0.45

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
SCHEMBL20357593 0.82 CREBBP (0.51) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL18317115 0.80 BRD4 (0.50) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL18326368 0.80 HTT (0.48) CREBBPBRD4
SCHEMBL16896881 0.79 BRD4 (0.52) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL16896919 0.79 BRD4 (0.47) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL16896887 0.79 BRD4 (0.49) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL16896876 0.78 BRD4 (0.48) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20373742 0.78 MAPK1 (0.43) CREBBPBRD4
SCHEMBL16905847 0.77 BRD4 (0.60) CREBBPBRD4BRD2BRD3CYP3A4
SCHEMBL18326384 0.76 BRD4 (0.49) BRD4BRD2BRD3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO 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 (3 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CREBBP 107/4885BRD4 4/4885BRD2 2/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CREBBP 107/4885BRD4 4/4885BRD2 2/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CREBBP 107/4885BRD4 4/4885BRD2 2/4885

“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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