SCHEMBL12437769

SCHEMBL12437769

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCCN5CCCC(C)C5)cc4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
PTGER4 P35408 1/20 0.47
RORC P51449 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL12437706 0.87 PTGER4 (0.52) HRH3PTGER4RORCALDH1A1KDM4E
SCHEMBL12513951 0.86 TP53 (0.46) PTGER4ALDH1A1KDM4EMAPTHTT
SCHEMBL12437705 0.84 MEN1 (0.50) HRH3PTGER4RORCALDH1A1KDM4E
SCHEMBL12437774 0.83 UTS2R (0.49) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL12437758 0.83 UTS2R (0.53) ALDH1A1KDM4EMAPTGAAHTT
SCHEMBL12513927 0.82 SLC5A7 (0.53) HRH3PTGER4RORCALDH1A1KDM4E
SCHEMBL12437730 0.82 TP53 (0.47) HRH3RORCALDH1A1KDM4EMAPT
SCHEMBL12437756 0.82 TP53 (0.59) ALDH1A1KDM4ETP53THRBSMN1; SMN2
SCHEMBL12513488 0.81 PTGER4 (0.52) PTGER4KDM4EMAPTGAATP53
SCHEMBL12513487 0.81 SLC5A7 (0.55) PTGER4RORCMAPTGAATP53

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 HRH3 788/4885PTGER4 1352/4885RORC 1725/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HRH3 788/4885PTGER4 1352/4885RORC 1725/4885

“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.