SCHEMBL5324683

SCHEMBL5324683

CCCC(N)Cc1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
DPP4 P27487 3/20 0.43
DPP7 Q9UHL4 1/20 0.43
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
FAP Q12884 1/20 0.40
KMT2A Q03164 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
SCN4A P35499 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL29289210 0.90 HTR2A (0.41) TAAR1SIGMAR1HTR2ASLC6A2SLC6A4
SCHEMBL23420598 0.86 HTR2A (0.50) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL4708624 0.82 TAAR1 (0.52) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL7211808 0.82 TAAR1 (0.52) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL3765090 0.80 TAAR1 (0.47) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL7997555 0.80 DPP4 (0.47) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL7211801 0.80 TAAR1 (0.45) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL3935731 0.80 DPP4 (0.47) TAAR1DPP4DPP7DPP8DPP9
Bromide SCHEMBL14833288 0.79 SLC6A2 (0.51) TAAR1DPP4DPP8DPP9FAP
SCHEMBL5580928 0.79 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP

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
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 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 TAAR1 632/4885DPP4 974/4885DPP7 1319/4885

“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.