SCHEMBL16905960

SCHEMBL16905960

COc1cc2c(cc1Br)OCC(=O)N2C(C)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 3/20 0.41
▸ CYP19A1 P11511 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ OXTR P30559 2/20 0.37
▸ ALPL P05186 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16905943 0.88 HTT (0.36) CYP11B1CYP11B2CYP19A1HTR2AHTR2C
SCHEMBL16896927 0.83 BRD4 (0.44) CYP3A4
SCHEMBL16905982 0.81 HTT (0.36) HTR2AHTR2CKDM4EHTT
SCHEMBL16905977 0.81 KMO (0.45) CYP3A4HTR2AHTR2CKDM4EHTT
SCHEMBL16905970 0.78 TP53 (0.47) CYP11B1CYP11B2CYP3A4HTR2AHTR2C
SCHEMBL16896789 0.71 BRD4 (0.44) CYP3A4
SCHEMBL16906045 0.70 L3MBTL1 (0.49) HTR2AHTR2CKDM4EPDE4DALDH1A1
SCHEMBL30659587 0.70 HTR1A (0.45) CYP11B1CYP11B2CYP3A4HTR2AHTR2C
SCHEMBL26654576 0.70 HTR1A (0.45) CYP11B1CYP11B2CYP3A4HTR2AHTR2C
SCHEMBL16905991 0.69 ALPL (0.39) CYP11B1CYP11B2CYP19A1CYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CYP11B1 499/4885CYP11B2 264/4885CYP19A1 1133/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CYP11B1 499/4885CYP11B2 264/4885CYP19A1 1133/4885

“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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