SCHEMBL12437704

SCHEMBL12437704

CCn1c2ccccc2c2cc(CN3CCCC(Oc4ccc(C(=O)NCC5CCN(C6CCCC6)CC5)cc4)C3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.44
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CCR3 P51677 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FAAH O00519 1/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL12513654 0.90 RORC (0.43) RORCALDH1A1LMNAKDM4EMAPT
SCHEMBL12437706 0.85 PTGER4 (0.52) RORCHRH3ALDH1A1GAALMNA
SCHEMBL12437705 0.84 MEN1 (0.50) RORCHRH3ALDH1A1GAALMNA
SCHEMBL12437707 0.82 RORC (0.46) RORCALDH1A1GAALMNAKDM4E
SCHEMBL13948803 0.80 ATM (0.43) HRH3ALDH1A1GAAPOLBLMNA
SCHEMBL12437769 0.77 HRH3 (0.47) RORCHRH3ALDH1A1GAALMNA
SCHEMBL12437739 0.76 BCHE (0.53) ALDH1A1GAAPOLBLMNAKDM4E
SCHEMBL12437730 0.75 TP53 (0.47) RORCHRH3ALDH1A1GAALMNA
SCHEMBL12513927 0.75 SLC5A7 (0.53) RORCHRH3ALDH1A1LMNAKDM4E
SCHEMBL12437738 0.74 UTS2R (0.52) BCHEMAPTTP53FAAH

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 3 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

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 RORC 1725/4885HRH3 788/4885ALDH1A1 591/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD RORC 1725/4885HRH3 788/4885ALDH1A1 591/4885

“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.