SCHEMBL12437754

SCHEMBL12437754

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NC5CCCN(Cc6ccccc6)C5)cc4Cl)CC3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.62
DRD2 P14416 2/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
CYP3A43 Q9HB55 1/20 0.51
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
FAAH O00519 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
SCHEMBL12437747 0.93 UTS2R (0.60) UTS2RPOLBMEN1KMT2ADRD4
SCHEMBL12437739 0.90 BCHE (0.53) UTS2RDRD2POLBDRD4DRD3
SCHEMBL12437736 0.88 UTS2R (0.61) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL12437738 0.87 UTS2R (0.52) UTS2RDRD2DRD4DRD3FAAH
SCHEMBL12437772 0.86 UTS2R (0.50) UTS2RPOLBFAAH
SCHEMBL12437723 0.84 MAPT (0.51) UTS2RMEN1KMT2A
SCHEMBL12437702 0.84 MEN1 (0.47) UTS2RDRD2MEN1KMT2ADRD4
SCHEMBL12437741 0.84 UTS2R (0.47) UTS2RFAAH
SCHEMBL12437732 0.84 UTS2R (0.52) UTS2RMEN1KMT2A
SCHEMBL12437751 0.83 KCNH2 (0.49) UTS2RDRD2

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 UTS2R 854/4885DRD2 1842/4885HTR1A 3457/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD UTS2R 854/4885DRD2 1842/4885HTR1A 3457/4885

“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.