SCHEMBL12437702

SCHEMBL12437702

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCCCCN5CCCC5)cc4Cl)CC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER4 P35408 1/20 0.47
UTS2R Q9UKP6 2/20 0.47
CCR2 P41597 1/20 0.47
MAPT P10636 4/20 0.47
CCR3 P51677 1/20 0.46
TP53 P04637 4/20 0.46
CNR2 P34972 2/20 0.46
SMYD2 Q9NRG4 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL12437723 0.97 MAPT (0.51) MEN1KMT2APTGER4UTS2RCCR2
SCHEMBL12437732 0.94 UTS2R (0.52) MEN1KMT2APTGER4UTS2RCCR2
SCHEMBL12437827 0.90 CACNA1G (0.49) UTS2RMAPTGAA
SCHEMBL12437803 0.89 UTS2R (0.46) PTGER4UTS2RMAPTCCR3TP53
SCHEMBL12513488 0.89 PTGER4 (0.52) KMT2APTGER4UTS2RMAPTCCR3
SCHEMBL12437741 0.88 UTS2R (0.47) UTS2RMAPTCCR3TP53GAA
SCHEMBL12437855 0.87 TP53 (0.45) PTGER4UTS2RMAPTTP53GAA
SCHEMBL12437722 0.87 UTS2R (0.45) UTS2RMAPTCCR3TP53CNR2
SCHEMBL12437801 0.86 TMEM97 (0.50) MEN1KMT2AUTS2RMAPTTP53
SCHEMBL12437727 0.86 UTS2R (0.45) UTS2RMAPTTP53GAAFAAH

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 MEN1 3974/4885KMT2A 2446/4885PTGER4 1352/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MEN1 3974/4885KMT2A 2446/4885PTGER4 1352/4885

“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.