SCHEMBL3106520

SCHEMBL3106520

Cc1noc(C)c1-c1cc(C(Cl)C2CCCCC2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.44
BRD2 P25440 8/20 0.38
BRD3 Q15059 8/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3110155 0.84 BRD4 (0.56) BRD4BRD2BRD3CYP1A2CYP3A4
SCHEMBL3104360 0.80 HTR1A (0.31) BRD4
SCHEMBL3106759 0.76 PDE4A (0.37) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3107059 0.76 MAOB (0.37) CYP1A2CYP3A4CYP2D6CYP2C19TDP1
SCHEMBL3102056 0.75 NPC1 (0.43)
SCHEMBL3093911 0.74 CYP2A6 (0.34) CYP1A2
SCHEMBL3102390 0.74 OPRK1 (0.35)
SCHEMBL3106514 0.74 MAOB (0.38) CYP1A2CYP3A4CYP2D6CYP2C19TDP1
SCHEMBL3095575 0.74 NPC1 (0.38) TDP1
SCHEMBL3105333 0.73 AXL (0.37)

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR BRD4 90/4885BRD2 357/4885BRD3 112/4885

“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.