SCHEMBL12437600

SCHEMBL12437600

O=C(NCC(c1ccco1)N1CCOCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
HTT P42858 1/20 0.53
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
NAMPT P43490 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
SCHEMBL12437588 0.93 HTT (0.62) ATMHTTLMNAMEN1KMT2A
SCHEMBL12437440 0.92 TP53 (0.55) ATMLMNATP53MAPTALDH1A1
SCHEMBL12513922 0.91 ATM (0.52) ATMHTTLMNATP53MEN1
SCHEMBL12437494 0.87 ATM (0.50) ATMLMNATP53MEN1KMT2A
SCHEMBL12437589 0.85 HTT (0.53) HTTLMNAMEN1KMT2AMAPT
SCHEMBL12437578 0.82 MEN1 (0.55) TP53MEN1KMT2AALDH1A1CYP2D6
SCHEMBL12437496 0.82 ATM (0.49) ATMHTTLMNAMEN1KMT2A
SCHEMBL12437585 0.82 ALDH1A1 (0.47) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL12437514 0.81 HRH3 (0.67) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL12437516 0.79 HRH3 (0.60) LMNAMEN1KMT2AALDH1A1CYP2D6

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 ATM 4610/4885HTT 941/4885LMNA 2809/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ATM 4610/4885HTT 941/4885LMNA 2809/4885

“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.