SCHEMBL12437367

SCHEMBL12437367

O=C(NCCN1CCOCC1)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
EPHX2 P34913 2/20 0.51
SLC5A7 Q9GZV3 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CCR3 P51677 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
DRD4 P21917 1/20 0.48
PRMT5 O14744 3/20 0.48
WDR77 Q9BQA1 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 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
SCHEMBL12437392 0.95 KDM4E (0.55) CYP2C19CYP2C9SLC5A7CYP1A2CYP2D6
SCHEMBL12437436 0.93 SLC5A7 (0.53) CYP2C19CYP2C9EPHX2SLC5A7MEN1
SCHEMBL12437374 0.93 SLC5A7 (0.53) CYP2C19CYP2C9EPHX2SLC5A7MEN1
SCHEMBL12437419 0.90 SLC5A7 (0.54) CYP2C19CYP2C9SLC5A7MEN1KMT2A
SCHEMBL12437402 0.90 SLC5A7 (0.54) CYP2C19CYP2C9SLC5A7CYP1A2CYP2D6
SCHEMBL12437387 0.90 MEN1 (0.61) CYP2C19CYP2C9EPHX2SLC5A7CYP1A2
SCHEMBL12437423 0.88 MEN1 (0.51) CYP2C19CYP2C9SLC5A7MEN1KMT2A
SCHEMBL12437449 0.88 CCR3 (0.53) SLC5A7CYP1A2CYP2D6MEN1KMT2A
SCHEMBL12437468 0.88 SLC5A7 (0.51) SLC5A7CYP1A2CYP2D6MEN1KMT2A
SCHEMBL12437441 0.87 PRMT5 (0.50) MEN1KMT2AALDH1A1POLBTP53

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 CYP2C19 3407/4885CYP2C9 3433/4885EPHX2 1406/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CYP2C19 3407/4885CYP2C9 3433/4885EPHX2 1406/4885

“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.