SCHEMBL16905985

SCHEMBL16905985

COc1cc2c(cc1Br)OCC(=O)N2CCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ BRD4 O60885 1/20 0.46
▸ KMO O15229 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ OPRK1 P41145 1/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ SCN9A Q15858 3/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ TSHR P16473 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39

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
SCHEMBL16905984 0.90 BRD4 (0.54) ALDH1A1ALOX15ACHEBRD4KMO
SCHEMBL16896900 0.84 BRD4 (0.48) ALDH1A1ALOX15ACHEBRD4KMO
SCHEMBL20373272 0.78 BRD4 (0.53) ALDH1A1ALOX15ACHEBRD4KMO
SCHEMBL30665851 0.78 TSHR (0.43) ALDH1A1BRD4KMOHSD17B10HTR2A
SCHEMBL26654819 0.78 TSHR (0.43) ALDH1A1BRD4KMOHSD17B10HTR2A
SCHEMBL31457804 0.76 L3MBTL1 (0.40) ALDH1A1HTR2ADRD2MCHR1TSHR
SCHEMBL26654846 0.76 L3MBTL1 (0.40) ALDH1A1HTR2ADRD2MCHR1TSHR
SCHEMBL30659620 0.76 NOS3 (0.44) ALDH1A1KMOHSD17B10HTR2AHTR2C
SCHEMBL26654630 0.76 NOS3 (0.44) ALDH1A1KMOHSD17B10HTR2AHTR2C
SCHEMBL16905977 0.76 KMO (0.45) BRD4KMOHSD17B10OPRK1HTR2A

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 ALDH1A1 2949/4885ALOX15 2874/4885ACHE 2354/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ALDH1A1 2949/4885ALOX15 2874/4885ACHE 2354/4885

“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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