SCHEMBL13178604

SCHEMBL13178604

CC(=O)CN(Cc1ccc2ccccc2c1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAOB P27338 1/20 0.43
PYCR1 P32322 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
BCHE P06276 1/20 0.42
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ACHE P22303 1/20 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
SCHEMBL13138704 0.87 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL13178539 0.83 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL16015735 0.80 PYCR1 (0.56) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL13186797 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL12153268 0.78 BCHE (0.56) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL19789005 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL15701722 0.75 BCHE (0.58) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL8088882 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL16377075 0.73 PYCR1 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL23972322 0.73 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2010-09-02 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 (1 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-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 SLC6A2 3803/4885SLC6A4 3034/4885SLC6A3 3491/4885

“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.