SCHEMBL27076325

SCHEMBL27076325

O=C(O)N1C[C@H]2C[C@H](Oc3ccccc3F)[C@H](O)[C@@]2(O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
RIPK1 Q13546 1/20 0.34
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FKBP1A P62942 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CXCL8 P10145 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27076326 1.00 GRIN1 (0.36) GRIN1GRIN2BHSD11B1HSD11B2RIPK1
SCHEMBL27076333 1.00 GRIN1 (0.36) GRIN1GRIN2BHSD11B1HSD11B2RIPK1
SCHEMBL27076283 0.85 SMN1; SMN2 (0.40) GRIN1GRIN2B
SCHEMBL31006203 0.85 SMN1; SMN2 (0.40) GRIN1GRIN2B
SCHEMBL29961203 0.85 SMN1; SMN2 (0.40) GRIN1GRIN2B
SCHEMBL29960388 0.85 SMN1; SMN2 (0.40) GRIN1GRIN2B
SCHEMBL27076346 0.84 CTSV (0.36) GRIN1GRIN2BHSD11B1RIPK1
SCHEMBL27076308 0.84 CTSV (0.36) GRIN1GRIN2BHSD11B1RIPK1
SCHEMBL27076323 0.84 CTSV (0.36) GRIN1GRIN2BHSD11B1RIPK1
SCHEMBL2146384 0.75 GRIN1 (0.39) GRIN1GRIN2BRIPK1HPGDL3MBTL1

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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
US-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-20 US disclosed
EP-4313042-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP 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 (2 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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A GRIN1 6/4885GRIN2B 2/4885HSD11B1 2422/4885
US-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2C, GRIN2B, GRIN2A GRIN1 4/4885GRIN2B 2/4885HSD11B1 2195/4885

“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.