SCHEMBL12437698

SCHEMBL12437698

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)NCCC5CCCN5C)c(F)c4)CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 4/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.43
FAAH O00519 1/20 0.43
MCHR2 Q969V1 3/20 0.42
CHRM4 P08173 2/20 0.42
RORC P51449 2/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL12437692 0.92 TP53 (0.46) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL12513480 0.89 SLC5A7 (0.53) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL12513994 0.82 SLC5A7 (0.54) GAACHRM4
SCHEMBL12437741 0.82 UTS2R (0.47) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12513801 0.82 TP53 (0.45) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12513924 0.82 SLC5A7 (0.53) GAACHRM4
SCHEMBL12513799 0.82 SLC5A7 (0.49) MAPTGAATP53RORC
SCHEMBL12513878 0.82 SLC5A7 (0.49) MAPTGAATP53RORC
SCHEMBL12513887 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL12513487 0.78 SLC5A7 (0.55) MAPTGAATP53THRBFAAH

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 CHRM2 4850/4885CHRM5 4808/4885CHRM1 4860/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CHRM2 4850/4885CHRM5 4808/4885CHRM1 4860/4885

“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.