SCHEMBL18317268

SCHEMBL18317268

COc1cc2c(cc1-c1c(C)noc1C)CC=CN2CCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 12/20 0.44
▸ BRD4 O60885 13/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 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
SCHEMBL18317120 0.80 BRD4 (0.43) CREBBPBRD4CYP3A4CYP2C9CYP2C19
SCHEMBL18377959 0.79 BRD4 (0.47) CREBBPBRD4CYP3A4CYP2C9CYP2C19
SCHEMBL18317134 0.79 BRD4 (0.42) CREBBPBRD4CYP3A4CYP2C9BRD2
SCHEMBL18317125 0.78 BRD4 (0.41) BRD4CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL18317269 0.77 BRD4 (0.44) CREBBPBRD4CYP3A4CYP1A2CYP2C9
SCHEMBL18317412 0.77 BRD4 (0.41) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18378607 0.77 BRD4 (0.53) CREBBPBRD4CYP3A4CYP2C9CYP2C19
SCHEMBL18317200 0.77 BRD4 (0.36) BRD4CYP3A4CYP1A2CYP2C9BRD2
SCHEMBL18317116 0.76 BRD4 (0.43) CREBBPBRD4CYP3A4CYP1A2CYP2C9
SCHEMBL18317112 0.75 BRD4 (0.43) CREBBPBRD4CYP3A4CYP2C9BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed

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 CREBBP 107/4885BRD4 4/4885CYP3A4 1942/4885

“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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