SCHEMBL12513633

SCHEMBL12513633

CCCC(c1ccc(F)cc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL19402469 0.83 AOC3 (0.44) AOC3SLC6A2SLC6A3SLC6A4KAT2B
SCHEMBL9613800 0.82 AOC3 (0.44) AOC3SLC6A2SLC6A3SLC6A4KAT2B
SCHEMBL21477341 0.80 ALDH1A1 (0.44) ALDH1A1OPRM1CHRNB2CHRNB4CHRNA3
SCHEMBL2277962 0.80 AOC3 (0.42) AOC3SLC6A2SLC6A3SLC6A4KAT2B
SCHEMBL11989946 0.79 CHRNB2 (0.53) AOC3ALDH1A1OPRM1CHRNB2CHRNB4
SCHEMBL6943365 0.78 KAT2B (0.38) AOC3SLC6A2SLC6A3SLC6A4KAT2B
SCHEMBL17571750 0.78 AOC3 (0.47) AOC3SLC6A2SLC6A3SLC6A4KAT2B
SCHEMBL31016671 0.78 AOC3 (0.47) AOC3SLC6A2SLC6A3SLC6A4KAT2B
Hydrochloric Acid SCHEMBL27689197 0.78 CHRNB2 (0.51) AOC3SLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL11990055 0.77 ALDH1A1 (0.49) AOC3KAT2BALDH1A1OPRM1

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 3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS AOC3 2044/4885SLC6A2 4733/4885SLC6A3 4490/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD AOC3 3231/4885SLC6A2 4434/4885SLC6A3 3996/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD AOC3 3231/4885SLC6A2 4434/4885SLC6A3 3996/4885

“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.