SCHEMBL12437601

SCHEMBL12437601

CCCN1CCC(CNC(=O)c2ccc(OC3CCN(CC(c4ccccc4)c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SLC5A7 Q9GZV3 2/20 0.52
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
HRH3 Q9Y5N1 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL12437582 0.86 HRH3 (0.59) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL14436529 0.85 SLC5A7 (0.44) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437664 0.84 HDAC3 (0.58) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437540 0.84 HRH3 (0.60) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437762 0.83 HRH3 (0.52) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437549 0.83 HRH3 (0.61) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437340 0.83 HRH3 (0.68) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437525 0.82 HRH3 (0.69) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437532 0.82 HRH3 (0.69) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL12437529 0.82 MCHR1 (0.60) MEN1KMT2AOPRM1OPRD1ALDH1A1

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 MEN1 3974/4885KMT2A 2446/4885OPRM1 2073/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885OPRM1 2073/4885

“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.