SCHEMBL1344136

SCHEMBL1344136

C[C@H]1NCCN(CCCO)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 5/20 0.35
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BIRC2 Q13490 1/20 0.30

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
SCHEMBL1344018 1.00 ATM (0.38) ATMUSP2TSHRHTTHSD17B10
SCHEMBL1344021 1.00 ATM (0.38) ATMUSP2TSHRHTTHSD17B10
SCHEMBL9507476 0.90 ATM (0.39) ATMSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL17351113 0.82 GBA1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL1568930 0.80 HRH3 (0.38)
SCHEMBL1568926 0.80 HRH3 (0.38)
SCHEMBL22117597 0.77 ATM (0.39) ATMSLC6A2SLC6A4SLC6A3BIRC2
SCHEMBL1586934 0.76 PLA2G10 (0.39) ATM
SCHEMBL1554996 0.76 PLA2G10 (0.39) ATM
SCHEMBL1343088 0.75 MAPT (0.34) ATMSLC6A2SLC6A4SLC6A3L3MBTL1

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-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 ATM 2602/4885USP2 4800/4885TSHR 435/4885

“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.