SCHEMBL12437833

SCHEMBL12437833

CC1CCCCN1CCCNC(=O)c1ccc(OC2CCN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 13/20 0.60
HTR3A P46098 3/20 0.58
UTS2R Q9UKP6 1/20 0.49
MCHR1 Q99705 2/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL12437829 0.95 CACNA1G (0.54) CACNA1GHTR3AUTS2R
SCHEMBL14436307 0.92 CACNA1G (0.56) CACNA1GHTR3AUTS2R
SCHEMBL12437832 0.92 CACNA1G (0.56) CACNA1GHTR3AUTS2R
SCHEMBL12437828 0.90 CACNA1G (0.55) CACNA1GHTR3AUTS2R
SCHEMBL12437831 0.89 CACNA1G (0.52) CACNA1GHTR3AUTS2RMCHR1
SCHEMBL13158841 0.88 CACNA1G (0.53) CACNA1GHTR3ACYP2D6
SCHEMBL12437830 0.86 CACNA1G (0.53) CACNA1GHTR3AUTS2R
SCHEMBL12437710 0.85 CACNA1G (0.49) CACNA1GHTR3AUTS2R
SCHEMBL12513958 0.84 SLC6A2 (0.54) CACNA1GUTS2RMCHR1CYP2D6CHRM1
SCHEMBL12437827 0.84 CACNA1G (0.49) CACNA1GHTR3AUTS2R

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 CACNA1G 4871/4885HTR3A 2752/4885UTS2R 854/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CACNA1G 4871/4885HTR3A 2752/4885UTS2R 854/4885

“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.