SCHEMBL13995183

SCHEMBL13995183

CC(C)CC(N)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
AAK1 Q2M2I8 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL4452204 0.81 GBA1 (0.36) GBA1IDO1TDO2HTR2AHTR2C
SCHEMBL13995166 0.80 AOC3 (0.44) GBA1ALDH1A1LMNAMAPTHTT
SCHEMBL6854183 0.79 AAK1 (0.35) ALDH1A1MAPK1AAK1LMNAMAPT
SCHEMBL13995158 0.78 MAOA (0.42) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL12261531 0.77 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1
SCHEMBL1727838 0.77 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1
SCHEMBL1727640 0.77 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1
SCHEMBL25526818 0.77 CES2 (0.33) GBA1IDO1TDO2CES2CES1
Hydrochloric Acid SCHEMBL20791409 0.76 SLC6A4 (0.41) GBA1MAPK1IDO1TDO2CES2
Hydrochloric Acid SCHEMBL20791551 0.76 SLC6A4 (0.41) GBA1MAPK1IDO1TDO2CES2

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 5 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-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-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 GBA1 704/4885ALDH1A1 3443/4885MAPK1 4415/4885

“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.