SCHEMBL12437440

SCHEMBL12437440

O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.55
CYP2D6 P10635 7/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
P2RX7 Q99572 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL12437600 0.92 ATM (0.59) TP53CYP2D6LMNAMAPTALDH1A1
SCHEMBL12437578 0.90 MEN1 (0.55) TP53CYP2D6ALDH1A1
SCHEMBL12437555 0.85 P2RX7 (0.53) CYP2D6LMNAMAPTP2RX7
SCHEMBL12437514 0.85 HRH3 (0.67) CYP2D6LMNAALDH1A1HRH3
SCHEMBL12437588 0.84 HTT (0.62) LMNAMAPTALDH1A1ATM
SCHEMBL12437516 0.84 HRH3 (0.60) CYP2D6LMNAALDH1A1HRH3
SCHEMBL12513922 0.83 ATM (0.52) TP53LMNAMAPTTHRBATM
SCHEMBL12437597 0.82 CYP2D6 (0.50) TP53CYP2D6LMNAMAPTP2RX7
SCHEMBL12437594 0.82 LMNA (0.51) TP53LMNAMAPTALDH1A1HRH3
SCHEMBL12437441 0.81 PRMT5 (0.50) TP53P2RX7ALDH1A1THRB

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 TP53 7/4885CYP2D6 1488/4885LMNA 2809/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885CYP2D6 1488/4885LMNA 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.