SCHEMBL87607

SCHEMBL87607

OC1(c2ccccc2F)CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
HSD11B1 P28845 1/20 0.38
HDAC4 P56524 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM1A O60341 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM1B Q8NB78 1/20 0.33
BACE1 P56817 1/20 0.33
EPHX2 P34913 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL13548738 0.80 ALOX5AP (0.38) ALOX5APHSD11B1PDK2
SCHEMBL3582800 0.77 ALOX5AP (0.51) ALOX5APHSD11B1
SCHEMBL23342649 0.75 PDK2 (0.38) ALOX5APHSD11B1PDK2GAA
SCHEMBL87608 0.75 HSD11B1 (0.55) ALOX5APHSD11B1
SCHEMBL3859941 0.74 HSD11B1 (0.42) ALOX5APHSD11B1HDAC4OPRL1P2RX7
SCHEMBL3864329 0.73 ALOX5AP (0.33) ALOX5APHSD11B1P2RX7BACE1PSEN1
SCHEMBL3861571 0.73 ALOX5AP (0.33) ALOX5APHSD11B1P2RX7BACE1PSEN1
SCHEMBL3861576 0.73 ALOX5AP (0.33) ALOX5APHSD11B1P2RX7BACE1PSEN1
SCHEMBL13548739 0.73 ALOX5AP (0.34) ALOX5APHSD11B1EPHX2
SCHEMBL23342513 0.73 SLC6A3 (0.38) ALOX5APOPRM1SIGMAR1PDK2

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 ALOX5AP 1234/4885HSD11B1 4199/4885HDAC4 2265/4885
US-20120129889-A1 Non-competitive NMDA receptor antagonists GRIN1, GRIN3A, GRIN2A ALOX5AP 1234/4885HSD11B1 4199/4885HDAC4 2265/4885

“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.