SCHEMBL12437430

SCHEMBL12437430

O=C(NC1CN2CCC1CC2)c1cccc(OC2CCCN(CC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KAT6A Q92794 1/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL12437503 0.83 MCHR1 (0.49) MEN1KMT2AKAT6ARAB9A
SCHEMBL12437561 0.82 MCHR1 (0.56) KMT2A
SCHEMBL12437436 0.81 SLC5A7 (0.53) MEN1KMT2A
SCHEMBL12437374 0.81 SLC5A7 (0.53) MEN1KMT2A
SCHEMBL12437391 0.79 MEN1 (0.53) MEN1KMT2AKAT6ARAB9A
SCHEMBL12437449 0.79 CCR3 (0.53) MEN1KMT2A
SCHEMBL13925119 0.79 KMT2A (0.49) MEN1KMT2AKAT6A
SCHEMBL12437468 0.79 SLC5A7 (0.51) MEN1KMT2ARAB9A
SCHEMBL12437409 0.79 BCHE (0.61) MEN1KMT2A
SCHEMBL12437410 0.79 MEN1 (0.52) MEN1KMT2AKAT6ARAB9A

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 CHRNA7 4522/4885HTR3E 1458/4885HTR3B 1729/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CHRNA7 4522/4885HTR3E 1458/4885HTR3B 1729/4885

“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.