SCHEMBL12437680

SCHEMBL12437680

CCN1CCCC1CNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.57
DRD2 P14416 8/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL12437674 0.90 DRD2 (0.50) ABCG2DRD2KMT2A
SCHEMBL12437529 0.87 MCHR1 (0.60) ABCG2DRD2KMT2A
SCHEMBL12437531 0.86 KMT2A (0.56) ABCG2DRD2KMT2A
SCHEMBL12437407 0.86 DRD2 (0.54) DRD2KMT2A
SCHEMBL12437679 0.85 SLC5A7 (0.53) KMT2A
SCHEMBL12437746 0.79 OPRK1 (0.45) KMT2A
SCHEMBL12437372 0.78 MCHR1 (0.51) ABCG2DRD2KMT2A
SCHEMBL12437087 0.75 MEN1 (0.47) KMT2A
SCHEMBL12437762 0.74 HRH3 (0.52) KMT2A
SCHEMBL16233191 0.73 ABCG2 (0.74) ABCG2DRD2KMT2A

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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD ABCG2 2447/4885DRD2 1842/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ABCG2 2447/4885DRD2 1842/4885KMT2A 2446/4885

“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.