SCHEMBL12437741

SCHEMBL12437741

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCCC5CCCN5C)cc4Cl)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.47
TP53 P04637 6/20 0.45
MAPT P10636 4/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.43
THRB P10828 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
SCHEMBL12513801 0.94 TP53 (0.45) UTS2RTP53MAPTTLR9TLR8
SCHEMBL12513480 0.89 SLC5A7 (0.53) TP53MAPTCCR3ALDH1A1SMN1; SMN2
SCHEMBL12437702 0.88 MEN1 (0.47) UTS2RTP53MAPTCCR3GAA
SCHEMBL12437751 0.88 KCNH2 (0.49) UTS2RTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL12437723 0.88 MAPT (0.51) UTS2RTP53MAPTCCR3ALDH1A1
SCHEMBL12437692 0.86 TP53 (0.46) TP53MAPTCCR3ALDH1A1SMN1; SMN2
SCHEMBL12437803 0.86 UTS2R (0.46) UTS2RTP53MAPTCCR3ALDH1A1
SCHEMBL12437720 0.85 UTS2R (0.46) UTS2RTP53MAPTCCR3ALDH1A1
SCHEMBL12437827 0.85 CACNA1G (0.49) UTS2RMAPTALDH1A1KDM4EGAA
SCHEMBL12437736 0.85 UTS2R (0.61) UTS2RTP53MAPTTHRB

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 UTS2R 854/4885TP53 7/4885MAPT 4821/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD UTS2R 854/4885TP53 7/4885MAPT 4821/4885

“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.