SCHEMBL12437756

SCHEMBL12437756

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NC5CCN(Cc6ccccc6)CC5)cc4)CC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.59
THRB P10828 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MCHR1 Q99705 2/20 0.53
DRD4 P21917 2/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL12437758 0.94 UTS2R (0.53) TP53THRBSMN1; SMN2MCHR1DRD4
SCHEMBL12437747 0.89 UTS2R (0.60) TP53THRBSMN1; SMN2KMT2AMEN1
SCHEMBL12437736 0.84 UTS2R (0.61) TP53THRBKMT2AMEN1MCHR1
SCHEMBL12437880 0.83 TP53 (0.49) TP53THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL13158246 0.82 TP53 (0.54) TP53THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL12437754 0.82 UTS2R (0.62) KMT2AMEN1DRD4
SCHEMBL12437769 0.82 HRH3 (0.47) TP53THRBSMN1; SMN2KMT2AMEN1
SCHEMBL12437888 0.81 TP53 (0.47) TP53THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL12437730 0.81 TP53 (0.47) TP53THRBSMN1; SMN2KMT2AMEN1
SCHEMBL13158788 0.80 TP53 (0.53) TP53THRBSMN1; SMN2KDM4EALDH1A1

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 TP53 7/4885THRB 3280/4885SMN1; SMN2 4539/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD TP53 7/4885THRB 3280/4885SMN1; SMN2 4539/4885

“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.