SCHEMBL12437692

SCHEMBL12437692

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCCC5CCCN5C)c(Cl)c4)CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.43
MCHR2 Q969V1 2/20 0.43
RORC P51449 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CCR3 P51677 1/20 0.42
NPY1R P25929 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
SCHEMBL12437698 0.92 CHRM2 (0.45) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12513480 0.89 SLC5A7 (0.53) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12513801 0.86 TP53 (0.45) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12437741 0.86 UTS2R (0.47) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12513878 0.84 SLC5A7 (0.49) TP53MAPTGAARORCCCR3
SCHEMBL12513994 0.84 SLC5A7 (0.54) GAABCHEACHECCR3
SCHEMBL12513924 0.82 SLC5A7 (0.53) GAACCR3
SCHEMBL12513799 0.82 SLC5A7 (0.49) TP53MAPTGAARORCCCR3
SCHEMBL12513887 0.79 ALDH1A1 (0.48) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12513487 0.78 SLC5A7 (0.55) TP53THRBMAPTGAARORC

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 TP53 7/4885THRB 3280/4885MAPT 4821/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885THRB 3280/4885MAPT 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.