SCHEMBL12437729

SCHEMBL12437729

CC1CCCN(CCCNC(=O)c2ccc(OC3CCN(Cc4cccc(C#Cc5ccccc5)c4)CC3)c(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
UTS2R Q9UKP6 4/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CCR3 P51677 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL12513928 0.91 TP53 (0.51) TP53MAPTLMNAUTS2RKDM4E
SCHEMBL12437836 0.87 UTS2R (0.51) UTS2RKDM4EALDH1A1CCR3DRD2
SCHEMBL12437332 0.84 UTS2R (0.55) LMNAUTS2RKDM4EALDH1A1CCR3
SCHEMBL12437711 0.84 UTS2R (0.47) TP53MAPTLMNAUTS2RKDM4E
SCHEMBL12513958 0.80 SLC6A2 (0.54) UTS2RKDM4EALDH1A1CCR3DRD2
SCHEMBL12437774 0.80 UTS2R (0.49) TP53MAPTLMNAUTS2RSMN1; SMN2
SCHEMBL12437337 0.79 ALDH1A1 (0.58) LMNAUTS2RKDM4EALDH1A1MEN1
SCHEMBL12437835 0.79 MCHR1 (0.54) UTS2RKDM4EALDH1A1CCR3
SCHEMBL12437828 0.78 CACNA1G (0.55) UTS2RKDM4EALDH1A1
SCHEMBL12437775 0.78 UTS2R (0.47) TP53MAPTLMNAUTS2RSMN1; SMN2

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 2 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-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 TP53 7/4885MAPT 4821/4885LMNA 2809/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885MAPT 4821/4885LMNA 2809/4885

“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.