SCHEMBL2203089

SCHEMBL2203089

OCCC1(CCO)CCC(c2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
GRIN1 Q05586 4/20 0.60
GRIN2A Q12879 4/20 0.60
GRIN2B Q13224 4/20 0.60
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
CYP2B6 P20813 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
PRCP P42785 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
GRIN2C Q14957 1/20 0.60
GRIN3A Q8TCU5 1/20 0.60
OPRM1 P35372 2/20 0.58
OPRD1 P41143 1/20 0.58
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRL1 P41146 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
SCHEMBL19634059 0.83 GRIN1 (0.84) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL28282384 0.81 GRIN1 (0.88) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL2204338 0.80 GRIN1 (0.58) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL30364176 0.79 SIGMAR1 (0.77) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Perchlorate SCHEMBL10840910 0.77 GRIN1 (0.68) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL2200939 0.76 SLC6A4 (0.47) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Rolicyclidine SCHEMBL517928 0.76 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL9153279 0.76 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Phencyclidine SCHEMBL17008793 0.76 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Phencyclidine SCHEMBL42022 0.76 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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 (1 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN SIGMAR1 184/4885GRIN1 574/4885GRIN2A 801/4885

“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.