SCHEMBL13995809

SCHEMBL13995809

CC(C)C[C@@H](C)NC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
SLC6A4 P31645 1/20 0.38
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 2/20 0.31
SHBG P04278 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 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
SCHEMBL13995781 1.00 GAA (0.39) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL13958907 0.98 EPHX1 (0.40) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL13995810 0.98 EPHX1 (0.40) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL13995784 0.98 EPHX1 (0.40) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL13995965 0.95 SLC6A4 (0.38) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL19221643 0.95 SLC6A4 (0.38) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL13995938 0.95 SLC6A4 (0.38) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL17399562 0.90 ALDH1A1 (0.46) GAAL3MBTL1HTTSLC6A4EPHX1
SCHEMBL1241693 0.82 SLC6A4 (0.40) SLC6A4EPHX1RAB9A
SCHEMBL28831891 0.82 EPHX1 (0.38) GAAL3MBTL1HTTEPHX1ALDH1A1

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-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GAA 1355/4885L3MBTL1 2782/4885HTT 1741/4885

“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.