SCHEMBL13995913

SCHEMBL13995913

CC(C)[C@H](C)CNCc1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ EPHX2 P34913 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ TACR1 P25103 1/20 0.39
▸ MRGPRX1 Q96LB2 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL12153198 0.87 SCN8A (0.49) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL16269252 0.85 ALDH1A1 (0.48) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL13436118 0.80 SCN8A (0.54) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL13995846 0.78 MPO (0.46) SCN8AKDM4EALDH1A1HTTSLC6A4
SCHEMBL13995700 0.78 MPO (0.46) SCN8AKDM4EALDH1A1HTTSLC6A4
SCHEMBL12153073 0.78 SCN8A (0.52) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL16269210 0.77 GAA (0.50) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL16268467 0.77 SCN8A (0.53) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL16269169 0.77 SCN8A (0.44) SCN8AKDM4EALDH1A1HTTTDP1
SCHEMBL13995914 0.77 MEN1 (0.46) ALDH1A1EPHX2PPARGTACR1SLC6A2

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 SCN8A 1482/4885KDM4E 1846/4885ALDH1A1 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.

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