SCHEMBL13995914

SCHEMBL13995914

CC(C)[C@H](C)CNCc1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ KCNN3 Q9UGI6 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2A Q12879 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ BCHE P06276 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
SCHEMBL13995708 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1GRIN1GRIN2A
SCHEMBL13995845 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1GRIN1GRIN2A
SCHEMBL29808598 0.80 GAA (0.54) HDAC3HDAC1HDAC2HDAC6PPARG
SCHEMBL13995912 0.79 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TACR1
SCHEMBL15979344 0.78 TACR1 (0.45) HDAC3HDAC1HDAC2HDAC6PPARG
SCHEMBL13995913 0.77 SCN8A (0.47) PPARGALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL3130662 0.76 MCL1 (0.53) HDAC3HDAC1HDAC2HDAC6PPARG
SCHEMBL13995700 0.74 MPO (0.46) MEN1KMT2AALDH1A1SLC6A4
SCHEMBL13995846 0.74 MPO (0.46) MEN1KMT2AALDH1A1SLC6A4
SCHEMBL22957856 0.74 HDAC3 (0.49) MEN1KMT2AHDAC3HDAC1HDAC2

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 MEN1 510/4885KMT2A 1311/4885HDAC3 508/4885

“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.

Send feedback