SCHEMBL8356325

SCHEMBL8356325

COC(=O)C1CC(C#N)(c2ccccc2F)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
RORC P51449 1/20 0.39
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 1/20 0.37
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL8022068 0.88 ADRA1A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11088958 0.87 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11826260 0.87 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430870 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11822928 0.85 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9055658 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17542850 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL735539 0.84 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1558214 0.82 RORC (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14341345 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044004-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC (US) 2012-08-15 EP disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
WO-2007145835-A2 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC. (US) 2007-12-21 WO disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-5972979-A Tricyclic spiro compounds as 5HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US disclosed
US-5952325-A Tricyclic spiro compounds process for their preparation and their use of 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-14 US disclosed
EP-0862565-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
EP-0787133-A1 TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-06 EP disclosed
WO-1997019070-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-05-29 WO disclosed
WO-1996011934-A1 TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 PSEN1 891/4885PSEN2 1360/4885APH1B 1660/4885

“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.