SCHEMBL83035

SCHEMBL83035

NC1(c2ccc(F)cc2)CC2CCC1C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.51
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
ALOX5AP P20292 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 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
SCHEMBL11893305 0.83 MAOB (0.42) HSD11B1MAOBMAOAALOX5APMEN1
SCHEMBL11028108 0.82 ALOX5AP (0.48) MAOBMAOAALOX5APKDM1ARCOR1
SCHEMBL87608 0.76 HSD11B1 (0.55) HSD11B1MAOBMAOAALOX5APMEN1
SCHEMBL1650476 0.71 MAOB (0.54) MAOBMAOAKDM1ARCOR1
SCHEMBL3067375 0.70 MAOB (0.52) HSD11B1MAOBMAOAKDM1ARCOR1
SCHEMBL83426 0.69 HSD11B1 (0.45) HSD11B1MAOBMAOAALOX5APMEN1
SCHEMBL13216349 0.68 HSD11B1 (1.00) HSD11B1MEN1KMT2A
SCHEMBL807663 0.68 ALOX5AP (0.55) HSD11B1ALOX5AP
SCHEMBL3054516 0.66 MAOB (0.42) MAOBMAOAKDM1ARCOR1
SCHEMBL12954721 0.64 ALOX5AP (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735590-B2 Bicyclo-heptan-2-amines ADEJARE ADEBOYE (US) 2014-05-27 US disclosed
US-8703799-B2 Non-competitive NMDA receptor antagonists ADEJARE ADEBOYE (US) 2014-04-22 US disclosed
US-20120190710-A1 BICYCLO-HEPTAN-2-AMINES Adeboye Adejare (US) 2012-07-26 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 (3 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 4199/4885MAOB 2190/4885MAOA 1452/4885
US-20120190710-A1 BICYCLO-HEPTAN-2-AMINES SIGMAR1, HTR2A, HTR2C HSD11B1 2984/4885MAOB 157/4885MAOA 205/4885
US-20120129889-A1 Non-competitive NMDA receptor antagonists GRIN1, GRIN3A, GRIN2A HSD11B1 4199/4885MAOB 2190/4885MAOA 1452/4885

“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.