SCHEMBL22015074

SCHEMBL22015074

Oc1ccc2c(c1)CCN(CCOCc1ccc(F)cc1)CC2O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.65
GRIN1 Q05586 10/20 0.65
GRM5 P41594 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
ESR1 P03372 3/20 0.44
ESR2 Q92731 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
SCHEMBL22014781 0.89 GRIN2B (0.74) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL22015072 0.86 GRIN2B (0.80) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL22015076 0.81 GRIN2B (0.59) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL19216355 0.80 GRIN2B (0.78) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL3398496 0.79 GRIN2B (1.00) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL3398505 0.76 GRIN2B (1.00) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL3424183 0.74 GRIN2B (1.00) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL23178364 0.74 GRIN2B (0.81) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL22015075 0.73 GRIN2B (0.73) GRIN2BGRIN1GRM5SIGMAR1
SCHEMBL3394444 0.70 GRIN1 (1.00) GRIN2BGRIN1GRM5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220118118-A1 BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY ETH ZURICH (CH) 2022-04-21 US disclosed
WO-2020099537-A1 BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY ETH ZURICH (CH) 2020-05-22 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-20220118118-A1 BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY GRIN1, GRIN2D, GRIN3B GRIN2B 4/4885GRIN1 1/4885GRM5 27/4885

“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.