SCHEMBL13995754

SCHEMBL13995754

CC(C)C[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
AAK1 Q2M2I8 1/20 0.42
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HPGD P15428 1/20 0.40
CTSS P25774 2/20 0.40

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
SCHEMBL8907586 0.86 L3MBTL1 (0.43) RENATMITGA4ITGB7OPRM1
SCHEMBL2473923 0.86 ATM (0.43) RENATMITGA4ITGB7OPRM1
SCHEMBL27489128 0.86 ATM (0.43) RENATMITGA4ITGB7OPRM1
SCHEMBL6316889 0.86 ATM (0.43) RENATMITGA4ITGB7OPRM1
SCHEMBL6316448 0.85 ATM (0.42) RENATMITGA4ITGB7OPRM1
SCHEMBL12050814 0.83 BCHE (0.53) RENATMITGA4ITGB7OPRK1
SCHEMBL24093689 0.83 ATM (0.41) RENAAK1ATMITGA4ITGB7
SCHEMBL2014842 0.83 ATM (0.41) RENATMITGA4ITGB7OPRM1
SCHEMBL3807212 0.83 ATM (0.41) RENATMITGA4ITGB7OPRM1
SCHEMBL6917836 0.83 ATM (0.41) RENATMITGA4ITGB7OPRM1

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 REN 642/4885AAK1 4708/4885ATM 4719/4885

“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.