SCHEMBL13995189

SCHEMBL13995189

CC(C)CC(N)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
MC4R P32245 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16469007 0.82 TP53 (0.46) PDE2AMC4RLMNAHTTDPP4
SCHEMBL30949361 0.81 IDO1 (0.41) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL19438183 0.81 IDO1 (0.41) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL29257309 0.81 IDO1 (0.41) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL12487250 0.81 IDO1 (0.41) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL11657956 0.79 CYP3A4 (0.44) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL29673215 0.78 PDE2A (0.60) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL29673197 0.78 PDE2A (0.60) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL1761854 0.78 PDE2A (0.60) PDE2AIDO1TDO2MC4RALDH1A1
SCHEMBL706808 0.78 PDE2A (0.60) PDE2AIDO1TDO2MC4RALDH1A1

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 PDE2A 198/4885IDO1 1851/4885TDO2 3149/4885

“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.