SCHEMBL3291908

SCHEMBL3291908

CC(=O)C1CCC(N(CC2c3ccccc3-c3ccccc32)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
OPRM1 P35372 3/20 0.36
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2671979 0.85 HTT (0.35) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL2671873 0.81 LMNA (0.37) SLC6A2SLC6A4SLC6A3POLBMAPT
SCHEMBL2672661 0.75 HCRTR1 (0.35) MEN1KMT2AMAPT
SCHEMBL23672489 0.73 SLC6A2 (0.32) SLC6A2SLC6A4KMT2AMAPTTSHR
SCHEMBL6877016 0.71 MAPK8 (0.39)
SCHEMBL29129339 0.70 KMT2A (0.45) POLBMEN1KMT2AMAPTTSHR
SCHEMBL5659950 0.70 OPRK1 (0.39)
SCHEMBL16216060 0.70 MEN1 (0.51) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL1933310 0.70 MEN1 (0.51) SLC6A2SLC6A4OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL2567796 0.69 CTSD (0.44) SLC6A2SLC6A4KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723381-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-20060258861-A1 Respiratory or gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 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-20060258861-A1 Respiratory or gastrointestinal disorders; cancer CYP2E1, UGT1A1, SLC26A4 SLC6A2 1745/4885SLC6A4 888/4885OPRM1 123/4885

“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.