SCHEMBL27076404

SCHEMBL27076404

O=c1[nH]c2c(F)cc(C(O)CBr)cc2s1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ ADRB3 P13945 1/20 0.31

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
SCHEMBL27076337 0.73 CA2 (0.31) —
SCHEMBL27076398 0.72 CMA1 (0.33) —
SCHEMBL11326657 0.64 CA12 (0.44) —
SCHEMBL34471631 0.64 CA12 (0.44) —
SCHEMBL23275839 0.64 PGR (0.43) —
SCHEMBL7786043 0.63 CES2 (0.42) ADRB2ADRB1ADRB3
SCHEMBL8130819 0.62 CES2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL27076322 0.62 KIF11 (0.39) ADRB2ADRB1
SCHEMBL27076399 0.60 KIF11 (0.33) —
SCHEMBL27076341 0.59 ADRB1 (0.31) ADRB2ADRB1

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 3 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
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 — — EP disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 — — 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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A ADRB2 622/4885ADRB1 632/4885ADRB3 1010/4885

“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.

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