SCHEMBL13630982

SCHEMBL13630982

COCC(=O)N(C1CCNCC1)[C@@H]1CCCC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.34
SLC6A2 P23975 10/20 0.34
SLC6A3 Q01959 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KCNH2 Q12809 3/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR2 P50052 2/20 0.31
CYP2D6 P10635 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
GAA P10253 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
SCHEMBL13623335 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL13622767 0.84 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KCNH2AGTR2
SCHEMBL8003405 0.82 KMT2A (0.43) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL2091299 0.73 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL2093629 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL22797998 0.71 TACR1 (0.33) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL1088743 0.69 ALDH1A1 (0.40) SLC6A4SLC6A2KMT2AMEN1KCNH2
SCHEMBL25930907 0.68 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KCNH2TSHR
SCHEMBL13622772 0.68 SLC6A4 (0.31) SLC6A4
SCHEMBL1309394 0.66 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3KCNH2POLB

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-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 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 (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-20090275574-A1 NOVEL COMPOUNDS-300 CACNA1A, SCN10A, OPRM1 SLC6A4 986/4885SLC6A2 1415/4885SLC6A3 1282/4885

“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.