SCHEMBL83426

SCHEMBL83426

Fc1ccc(C2(N3CCCCC3)CC3CCC2C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.45
SIGMAR1 Q99720 4/20 0.40
ALOX5AP P20292 1/20 0.35
PRCP P42785 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL83035 0.69 HSD11B1 (0.51) HSD11B1ALOX5APMEN1KMT2AMAOA
SCHEMBL87608 0.69 HSD11B1 (0.55) HSD11B1ALOX5APMEN1KMT2AMAOA
SCHEMBL11026770 0.68 SCN5A (0.44) HSD11B1MEN1KMT2A
SCHEMBL26436535 0.63 GRIN1 (0.67) SIGMAR1PRCPMEN1KMT2A
SCHEMBL13216349 0.62 HSD11B1 (1.00) HSD11B1MEN1KMT2A
SCHEMBL9631996 0.61 MAOB (0.39) HSD11B1MAOAMAOB
SCHEMBL11111151 0.61 HSD11B1 (0.35) HSD11B1KMT2AMAOAMAOB
SCHEMBL13216929 0.60 HSD11B1 (0.68) HSD11B1MEN1KMT2A
SCHEMBL539376 0.60 HSD11B1 (0.36) HSD11B1MAOAMAOB
SCHEMBL23595712 0.60 SLC6A3 (0.61) SIGMAR1PRCPMEN1KMT2A

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-8703799-B2 Non-competitive NMDA receptor antagonists ADEJARE ADEBOYE (US) 2014-04-22 US disclosed
US-20120129889-A1 Non-competitive NMDA receptor antagonists ADEJARE ADEBOYE (US) 2012-05-24 US disclosed
US-8129414-B2 Non-competitive NMDA receptor antagonists Adejare, Adeboye (US) 2012-03-06 US disclosed
US-20080039498-A1 Non-competitive NMDA receptor antagonists ADEJARE ADEBOYE 2008-02-14 US disclosed
WO-2007149508-A2 NON-COMPETITIVE NMDA RECEPTOR ANTAGONISTS THE UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2007-12-27 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 (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-20080039498-A1 Non-competitive NMDA receptor antagonists GRIN1, GRIN3A, GRIN2A HSD11B1 4199/4885SIGMAR1 25/4885ALOX5AP 1234/4885
US-20120129889-A1 Non-competitive NMDA receptor antagonists GRIN1, GRIN3A, GRIN2A HSD11B1 4199/4885SIGMAR1 25/4885ALOX5AP 1234/4885

“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.