SCHEMBL13995166

SCHEMBL13995166

CC(C)CC(N)c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MTOR P42345 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1730007 0.81 AOC3 (0.46) AOC3GBA1IDO1TDO2SLC6A2
SCHEMBL3577678 0.81 AOC3 (0.46) AOC3GBA1IDO1TDO2SLC6A2
SCHEMBL1730261 0.81 AOC3 (0.46) AOC3GBA1IDO1TDO2SLC6A2
SCHEMBL11996603 0.81 IDO1 (0.44) AOC3IDO1TDO2SLC6A2SLC6A4
SCHEMBL14120508 0.81 HDAC4 (0.40) ALDH1A1LMNAMAPTHTTHDAC4
SCHEMBL13995183 0.80 GBA1 (0.36) GBA1ALDH1A1LMNAMAPTHTT
SCHEMBL835071 0.80 ADRB1 (0.44) AOC3LMNAIDO1TDO2SLC6A2
Hydrochloric Acid SCHEMBL6899213 0.79 IDO1 (0.47) AOC3GBA1IDO1TDO2SLC6A2
SCHEMBL16805962 0.79 CPN1 (0.41) LMNASLC6A2SLC6A4
SCHEMBL13251356 0.79 AOC3 (0.41) AOC3IDO1TDO2SLC6A2SLC6A4

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 AOC3 2694/4885GBA1 704/4885ALDH1A1 3443/4885

“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.