SCHEMBL7856604

SCHEMBL7856604

Cc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2cccnn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
HCRTR2 O43614 11/20 0.40
PDE8B O95263 1/20 0.40
METTL3 Q86U44 1/20 0.39
PRMT5 O14744 1/20 0.38
CHEK2 O96017 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL2124328 0.83 METTL3 (0.49) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL7860235 0.81 METTL3 (0.43) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL2123536 0.77 METTL3 (0.48) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL2512520 0.77 PDE8B (0.42) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL7787688 0.77 KCNK3 (0.44) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL2120886 0.76 PDE8B (0.41) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL86137 0.75 PDE8B (0.42) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL12225863 0.74 PDE8B (0.43) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL2121708 0.73 METTL3 (0.54) KDM1AHCRTR2PDE8BMETTL3PRMT5
SCHEMBL30740781 0.72 KDM1A (0.44) KDM1AHCRTR2PDE8BMETTL3PRMT5

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-20100267730-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 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-20100267730-A1 NOVEL COMPOUNDS BRD4, DPP4, ITPR3 KDM1A 3997/4885HCRTR2 1658/4885PDE8B 273/4885

“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.