SCHEMBL16905977

SCHEMBL16905977

COc1cc2c(cc1Br)OCC(=O)N2C(C)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.45
▸ SCN9A Q15858 2/20 0.38
▸ BRD4 O60885 5/20 0.36
▸ BRD2 P25440 2/20 0.36
▸ BRD3 Q15059 2/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ BRDT Q58F21 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
SCHEMBL16896920 0.82 BRD4 (0.55) BRD4BRD2BRD3CACNA1ACHRNA1
SCHEMBL16905943 0.82 HTT (0.36) KMOSCN9AHTTL3MBTL1DRD2
SCHEMBL16905960 0.81 CYP11B1 (0.41) CYP3A4HTTKDM4EHTR2AHTR2C
SCHEMBL16905982 0.78 HTT (0.36) KMOSCN9AHTTKDM4EMAPT
SCHEMBL16905984 0.77 BRD4 (0.54) KMOSCN9ABRD4OPRK1MAPT
SCHEMBL16905985 0.76 ALDH1A1 (0.48) KMOSCN9ABRD4CYP3A4CYP2C19
SCHEMBL30659587 0.71 HTR1A (0.45) CYP3A4KDM4EMAPTCASP1CASP7
SCHEMBL26654576 0.71 HTR1A (0.45) CYP3A4KDM4EMAPTCASP1CASP7
SCHEMBL31457804 0.69 L3MBTL1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL26654846 0.69 L3MBTL1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19HTT

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 KMO 1409/4885SCN9A 1742/4885BRD4 4/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 KMO 1409/4885SCN9A 1742/4885BRD4 4/4885

“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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