SCHEMBL12437516

SCHEMBL12437516

O=C(NCCCN1CCOCC1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
ALDH1A1 P00352 2/20 0.59
OPRM1 P35372 2/20 0.59
OPRD1 P41143 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
POLB P06746 1/20 0.50
NAMPT P43490 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL12437514 0.94 HRH3 (0.67) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437341 0.92 OPRM1 (0.61) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437596 0.91 HRH3 (0.61) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437359 0.90 MEN1 (0.59) HRH3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12437334 0.89 OPRM1 (0.61) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437577 0.88 OPRM1 (0.63) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437340 0.86 HRH3 (0.68) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437377 0.85 POLB (0.52) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12437525 0.85 HRH3 (0.69) HRH3ALDH1A1OPRM1OPRD1MEN1
SCHEMBL12437532 0.85 HRH3 (0.69) HRH3ALDH1A1OPRM1OPRD1MEN1

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 591/4885OPRM1 2073/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HRH3 788/4885ALDH1A1 591/4885OPRM1 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.