SCHEMBL22701601

SCHEMBL22701601

CC(CN1C[C@H]2CCC[C@H]2C1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BCHE P06276 1/20 0.46
ALOX5 P09917 1/20 0.44
LTA4H P09960 1/20 0.44
NPC1 O15118 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20090989 1.00 GRIN1 (0.51) GRIN1GRIN2BRAB9ATSHRHSD17B10
SCHEMBL24136387 0.86 GRIN1 (0.68) GRIN1GRIN2BRAB9ATSHRHSD17B10
SCHEMBL21864454 0.83 KMT2A (0.53) GRIN2BKMT2AL3MBTL1
SCHEMBL20090957 0.80 GRIN1 (0.79) GRIN1GRIN2B
SCHEMBL24136447 0.77 GRIN2B (0.45) GRIN1GRIN2BKMT2A
SCHEMBL20090983 0.77 GRIN2B (0.45) GRIN1GRIN2BKMT2A
SCHEMBL22701630 0.73 GRIN2B (0.57) GRIN1GRIN2B
SCHEMBL20091020 0.73 GRIN2B (0.57) GRIN1GRIN2B
SCHEMBL25108838 0.73 BCHE (0.57) RAB9ABCHEALOX5GAAL3MBTL1
SCHEMBL28572476 0.72 BCHE (0.60) RAB9ATSHRBCHEALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2020-11-26 US 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-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885RAB9A 2285/4885

“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.