SCHEMBL12437697

SCHEMBL12437697

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCC(c5ccccc5Cl)N5CCCC5)cc4Cl)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TP53 P04637 6/20 0.43
THRB P10828 1/20 0.43
UTS2R Q9UKP6 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 3/20 0.40
MCHR2 Q969V1 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12513792 0.91 TP53 (0.44) MAPTTP53THRBGAAFAAH
SCHEMBL12437759 0.86 TP53 (0.46) MAPTTP53THRBUTS2RGAA
SCHEMBL12437723 0.84 MAPT (0.51) MAPTTP53UTS2RGAAKDM4E
SCHEMBL12437702 0.84 MEN1 (0.47) MAPTTP53UTS2RGAAFAAH
SCHEMBL12437855 0.83 TP53 (0.45) MAPTTP53THRBUTS2RGAA
SCHEMBL12437857 0.83 TP53 (0.45) MAPTTP53THRBUTS2RGAA
SCHEMBL12437923 0.82 TP53 (0.44) MAPTTP53THRBUTS2RGAA
SCHEMBL12437720 0.82 UTS2R (0.46) MAPTTP53THRBUTS2RGAA
SCHEMBL12437751 0.82 KCNH2 (0.49) MAPTTP53UTS2RLMNAKDM4E
SCHEMBL12437738 0.82 UTS2R (0.52) MAPTTP53UTS2RFAAH

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 MAPT 4821/4885TP53 7/4885THRB 3280/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MAPT 4821/4885TP53 7/4885THRB 3280/4885

“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.