SCHEMBL19216355

SCHEMBL19216355

Oc1ccc2c(c1)CCN(CCOCCc1ccccc1)CC2O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.78
GRIN1 Q05586 10/20 0.78
SIGMAR1 Q99720 3/20 0.78
GRM5 P41594 1/20 0.78

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 0.91 GRIN2B (0.74) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL3424183 0.88 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL3398505 0.82 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL22015074 0.80 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL19213968 0.78 GRIN2B (0.78) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL22015076 0.77 GRIN2B (0.59) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL22015072 0.77 GRIN2B (0.80) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL3393477 0.77 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL7888901 0.76 GRIN2B (0.78) GRIN2BGRIN1SIGMAR1GRM5
SCHEMBL7884889 0.75 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRM5

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-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY WESTFAELISCHE WILHELMS-UNIVERSITAET (DE) 2017-08-10 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-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY OPRK1, GRIN1, OPRL1 GRIN2B 9/4885GRIN1 2/4885SIGMAR1 259/4885

“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.