SCHEMBL12437494

SCHEMBL12437494

O=C(NCC(c1ccco1)N1CCOCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P2RX7 Q99572 3/20 0.45
TP53 P04637 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
SCHEMBL12437555 0.92 P2RX7 (0.53) LMNAP2RX7
SCHEMBL12437600 0.87 ATM (0.59) ATMLMNAMEN1ALDH1A1GLA
SCHEMBL12513922 0.85 ATM (0.52) ATMLMNAMEN1KMT2ATP53
SCHEMBL12437486 0.81 HCN1 (0.60) LMNAMEN1KMT2AP2RX7
SCHEMBL12437406 0.81 MEN1 (0.49) LMNAMEN1KMT2A
SCHEMBL12437588 0.80 HTT (0.62) ATMLMNAMEN1ALDH1A1GLA
SCHEMBL12437377 0.79 POLB (0.52) LMNAMEN1ALDH1A1KMT2A
SCHEMBL12437489 0.78 CYP2D6 (0.46) LMNAMEN1KMT2AP2RX7TP53
SCHEMBL12437589 0.78 HTT (0.53) LMNAMEN1ALDH1A1GLAGAA
SCHEMBL12437440 0.78 TP53 (0.55) ATMLMNAALDH1A1P2RX7TP53

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 4610/4885LMNA 2809/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ATM 4610/4885LMNA 2809/4885MEN1 3974/4885

“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.