SCHEMBL13995102

SCHEMBL13995102

CC(C)C[C@H](N)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
SHBG P04278 1/20 0.41
DPP4 P27487 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL13995101 1.00 EPHX1 (0.41) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL13995117 0.98 ALDH1A1 (0.39) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL172567 0.98 ALDH1A1 (0.39) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL2633896 0.93 TSHR (0.39) EPHX1SHBGDPP4ALDH1A1TSHR
SCHEMBL15980647 0.87
SCHEMBL9746111 0.86 TP53 (0.41) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL7319672 0.86 TP53 (0.41) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL7304692 0.86 TP53 (0.41) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL7295223 0.86 TP53 (0.41) EPHX1SHBGDPP4TP53ALDH1A1
SCHEMBL18849500 0.85 EPHX1 (0.48) EPHX1SHBGDPP4TP53ALDH1A1

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 EPHX1 2492/4885SHBG 13/4885DPP4 974/4885

“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.