SCHEMBL87608

SCHEMBL87608

OC1(c2ccc(F)cc2)CC2CCC1C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.55
ALOX5AP P20292 2/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL18905268 0.83 ALOX5AP (0.39) HSD11B1ALOX5APPTGS2KMT2A
SCHEMBL11893304 0.83 KMT2A (0.47) HSD11B1ALOX5APMEN1KMT2AMAOB
SCHEMBL979119 0.83 ALOX5AP (0.39) HSD11B1ALOX5APPTGS2KMT2A
SCHEMBL3582800 0.82 ALOX5AP (0.51) HSD11B1ALOX5APPTGS2MEN1KMT2A
SCHEMBL12948046 0.79 HSD11B1 (0.39) HSD11B1ALOX5AP
SCHEMBL18910945 0.76 ALOX5AP (0.38) HSD11B1ALOX5APPTGS2KMT2AMAOB
SCHEMBL18905475 0.76 ALOX5AP (0.38) HSD11B1ALOX5APPTGS2
SCHEMBL83035 0.76 HSD11B1 (0.51) HSD11B1ALOX5APMEN1KMT2AMAOB
SCHEMBL18905301 0.75 ALOX5AP (0.52) HSD11B1ALOX5APMEN1KMT2A
SCHEMBL87607 0.75 ALOX5AP (0.38) HSD11B1ALOX5AP

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 4199/4885ALOX5AP 1234/4885PTGS2 1193/4885
US-20120129889-A1 Non-competitive NMDA receptor antagonists GRIN1, GRIN3A, GRIN2A HSD11B1 4199/4885ALOX5AP 1234/4885PTGS2 1193/4885

“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.