SCHEMBL18326402

SCHEMBL18326402

Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OCCC1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.49
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ BRD2 P25440 2/20 0.44
▸ BRD3 Q15059 2/20 0.44
▸ TRIM24 O15164 1/20 0.40
▸ BRD1 O95696 1/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CCL2 P13500 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ TAF1 P21675 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40

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
Hydrochloric Acid SCHEMBL18317127 0.99 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16906060 0.95 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326398 0.89 BRD4 (0.56) BRD4CYP3A4CYP2C9BRD2BRD3
Hydrochloric Acid SCHEMBL16896953 0.89 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16906061 0.86 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16905837 0.86 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896878 0.85 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
Hydrochloric Acid SCHEMBL16896908 0.85 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317234 0.84 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326400 0.84 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
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 (1 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 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885

“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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