SCHEMBL12437503

SCHEMBL12437503

CCN1CCCC(NC(=O)c2cccc(OC3CCCN(CC(c4ccccc4)c4ccccc4)C3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ACSS2 Q9NR19 2/20 0.46
SLC5A7 Q9GZV3 1/20 0.45
KAT6A Q92794 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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 0.93 KMT2A (0.55) MCHR1RAB9AHPGDSMN1; SMN2PKM
SCHEMBL12437561 0.91 MCHR1 (0.56) MCHR1KMT2A
SCHEMBL12437402 0.86 SLC5A7 (0.54) CYP3A4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL12437606 0.84 DRD2 (0.57) MCHR1KMT2AMEN1SLC5A7
SCHEMBL12437666 0.83 HRH3 (0.58) CYP3A4CYP1A2CYP2D6RAB9APKM
SCHEMBL12437394 0.83 MEN1 (0.51) MCHR1CYP3A4CYP1A2CYP2D6RAB9A
SCHEMBL12437391 0.83 MEN1 (0.53) RAB9AKMT2AMEN1SLC5A7KAT6A
SCHEMBL12437430 0.83 CHRNA7 (0.46) RAB9AKMT2AMEN1KAT6A
SCHEMBL12437374 0.82 SLC5A7 (0.53) KMT2AMEN1SLC5A7
SCHEMBL12437436 0.82 SLC5A7 (0.53) KMT2AMEN1SLC5A7

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 5 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
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO 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 MCHR1 2715/4885CYP3A4 2233/4885CYP1A2 2208/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MCHR1 2715/4885CYP3A4 2233/4885CYP1A2 2208/4885

“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.