SCHEMBL18326376

SCHEMBL18326376

COc1cc2c(cc1Br)cc(C1CCCCC1)c(=O)n2Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ GABRA1 P14867 4/20 0.42
▸ GABRA5 P31644 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ SRC P12931 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL16906011 0.84 BRD4 (0.43) PDE4DPDE4BPDE4APDE4CGABRA1
SCHEMBL20373441 0.83 PDE4A (0.39) PDE4DPDE4BPDE4APDE4CGABRA1
SCHEMBL18326380 0.83 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CGABRA1
SCHEMBL16905989 0.78 HTR2A (0.45) PDE4DPDE4BPDE4APDE4CGABRA1
SCHEMBL20357574 0.75 BRD4 (0.41) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16906007 0.68 BRD4 (0.53) PDE4DPDE4BPDE4APDE4CGABRA5
SCHEMBL20373585 0.66 POLB (0.38) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7987250 0.66 SRC (0.63) PDE4DPDE4BPDE4APDE4CGABRA1
SCHEMBL18359585 0.66 HTR2A (0.45) GABRA1GABRA5ALDH1A1HTR2AHTR2C
SCHEMBL29732326 0.64 GABRA5 (0.45) GABRA1GABRA5ALDH1A1HTR2AHTR2C

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 4 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

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 PDE4D 1379/4885PDE4B 1031/4885PDE4A 1159/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PDE4D 1379/4885PDE4B 1031/4885PDE4A 1159/4885

“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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