SCHEMBL2268749

SCHEMBL2268749

N[C@@H](C=O)Cc1ccc[n+]([O-])c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 17/20 0.41
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2268746 0.77 GPR84 (0.41) GPR84MEN1KMT2AL3MBTL1
SCHEMBL6510805 0.74 GPR84 (0.47) GPR84MEN1KMT2A
SCHEMBL623688 0.74 EPHX1 (0.56) MEN1KMT2A
SCHEMBL6486058 0.74 EPHX1 (0.56) MEN1KMT2A
SCHEMBL7327748 0.74 EPHX1 (0.56) MEN1KMT2A
SCHEMBL2639450 0.74 EPHX1 (0.56) MEN1KMT2A
SCHEMBL309963 0.74 EPHX1 (0.56) MEN1KMT2A
SCHEMBL13741192 0.73 GPR84 (0.46) GPR84L3MBTL1
Hydrochloric Acid SCHEMBL5568008 0.72 EPHX1 (0.54) MEN1KMT2A
SCHEMBL8781479 0.72 EPHX1 (0.54) MEN1KMT2A

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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 — — US claimed

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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS GNRHR, GRIN1, GRIN3A GPR84 149/4885MEN1 633/4885KMT2A 449/4885

“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.

Send feedback