SCHEMBL12437706

SCHEMBL12437706

CCn1c2ccccc2c2cc(CN3CCCC(Oc4ccc(C(=O)NCCN5CCCCCC5)cc4)C3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.52
HRH3 Q9Y5N1 5/20 0.51
KMT2A Q03164 1/20 0.49
RORC P51449 2/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 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
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 1/20 0.45
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL12437705 0.95 MEN1 (0.50) PTGER4HRH3KMT2ARORCKDM4E
SCHEMBL12513927 0.90 SLC5A7 (0.53) PTGER4HRH3KMT2ARORCKDM4E
SCHEMBL12437707 0.88 RORC (0.46) PTGER4RORCKDM4ELMNAALDH1A1
SCHEMBL12437769 0.87 HRH3 (0.47) PTGER4HRH3KMT2ARORCKDM4E
SCHEMBL12437704 0.85 RORC (0.46) HRH3KMT2ARORCKDM4ELMNA
SCHEMBL12437730 0.82 TP53 (0.47) HRH3KMT2ARORCKDM4ELMNA
SCHEMBL12513488 0.81 PTGER4 (0.52) PTGER4KMT2AKDM4ELMNAMAPT
SCHEMBL12437732 0.81 UTS2R (0.52) PTGER4KMT2AMAPTTP53CNR2
SCHEMBL12437758 0.80 UTS2R (0.53) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL12513487 0.80 SLC5A7 (0.55) PTGER4KMT2ARORCMAPTGAA

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 PTGER4 1352/4885HRH3 788/4885KMT2A 2446/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD PTGER4 1352/4885HRH3 788/4885KMT2A 2446/4885

“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.