SCHEMBL12437477

SCHEMBL12437477

O=C(NCC(c1ccco1)N1CCCC1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
APAF1 O14727 1/20 0.47
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL12437496 0.95 ATM (0.49) HTTKMT2AALDH1A1GAAMEN1
SCHEMBL12437589 0.91 HTT (0.53) HTTKMT2AALDH1A1GAAMEN1
SCHEMBL12437568 0.87 CYP2D6 (0.51) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL12437441 0.87 PRMT5 (0.50) KMT2AALDH1A1MEN1
SCHEMBL12437569 0.86 KAT6A (0.44) KMT2AMEN1MAPT
SCHEMBL12437475 0.86 POLB (0.46) HTTKMT2AALDH1A1MEN1
SCHEMBL12513922 0.85 ATM (0.52) HTTKMT2AMEN1LMNAMAPT
SCHEMBL12437487 0.85 PRMT5 (0.46) KMT2AMEN1MAPTTSHR
SCHEMBL12437588 0.82 HTT (0.62) HTTKMT2AALDH1A1GAAMEN1
SCHEMBL12437374 0.81 SLC5A7 (0.53) KMT2AMEN1

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 HTT 941/4885KMT2A 2446/4885ALDH1A1 591/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HTT 941/4885KMT2A 2446/4885ALDH1A1 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.