SCHEMBL3981840

SCHEMBL3981840

NC(=O)C1C2CCCCCCC21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX5 P09917 2/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3980477 1.00 EPHX1 (0.42) EPHX1CES2CES1ALOX5POLB
SCHEMBL3983946 0.97 EPHX1 (0.42) EPHX1CES2CES1ALOX5POLB
SCHEMBL1660648 0.97 EPHX1 (0.42) EPHX1CES2CES1ALOX5POLB
SCHEMBL3983137 0.92
SCHEMBL9963064 0.92
SCHEMBL9132022 0.74 POLB (0.50) EPHX1CES2CES1POLBNPC1
SCHEMBL301620 0.74 POLB (0.50) EPHX1CES2CES1POLBNPC1
SCHEMBL27249769 0.74
SCHEMBL17662473 0.74
SCHEMBL25467330 0.71 POLB (0.52) CES2CES1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP claimed
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP claimed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US claimed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO claimed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US claimed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 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 (2 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-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B EPHX1 1196/4885CES2 729/4885CES1 951/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B EPHX1 1196/4885CES2 729/4885CES1 951/4885

“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.