SCHEMBL12437666

SCHEMBL12437666

CCN1CCCC(NC(=O)c2ccc(OC3CCN(CC(c4ccccc4)c4ccccc4)CC3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.58
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
LMNA P02545 2/20 0.47
PKM P14618 2/20 0.47
SLC5A7 Q9GZV3 1/20 0.47
RAB9A P51151 1/20 0.47
ACSS2 Q9NR19 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL12513985 0.90 KMT2A (0.55) HRH3MEN1KMT2APKMSLC5A7
SCHEMBL12437766 0.84 HRH3 (0.59) HRH3ALDH1A1MEN1KMT2AOPRM1
SCHEMBL12437503 0.83 MCHR1 (0.49) MEN1KMT2APKMSLC5A7RAB9A
SCHEMBL12437540 0.81 HRH3 (0.60) HRH3ALDH1A1MEN1KMT2AOPRM1
SCHEMBL12437572 0.81 TMEM97 (0.61) HRH3MEN1KMT2ALMNACYP1A2
SCHEMBL12437606 0.81 DRD2 (0.57) MEN1KMT2ASLC5A7
SCHEMBL12437553 0.80 HRH3 (0.58) HRH3ALDH1A1MEN1KMT2AOPRM1
SCHEMBL12437340 0.80 HRH3 (0.68) HRH3ALDH1A1MEN1KMT2AOPRM1
SCHEMBL4356333 0.80 PKM (0.58) OPRM1PKMACSS2
SCHEMBL12437532 0.79 HRH3 (0.69) HRH3ALDH1A1MEN1KMT2AOPRM1

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 HRH3 788/4885ALDH1A1 591/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HRH3 788/4885ALDH1A1 591/4885MEN1 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.