SCHEMBL9955702

SCHEMBL9955702

O=C1CCCc2nc(Nc3cccc(F)c3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 1.00
▸ MAOB P27338 5/20 0.74
▸ MAOA P21397 3/20 0.74
▸ RAB9A P51151 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ G6PD P11413 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ NLRP3 Q96P20 1/20 0.49

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
SCHEMBL23657014 0.98 GRM5 (0.95) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL9955475 0.85 GRM5 (1.00) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23657016 0.85 GRM5 (0.74) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23657015 0.85 GRM5 (0.74) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL26723834 0.85 GRM5 (1.00) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23656939 0.85 GRM5 (0.73) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL26723821 0.84 GRM5 (0.76) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23657061 0.83 GRM5 (0.95) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23657070 0.82 GRM5 (0.80) GRM5MAOBMAOARAB9ASMN1; SMN2
SCHEMBL23656912 0.82 GRM5 (0.70) GRM5MAOBMAOARAB9ASMN1; SMN2

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-20230348401-A1 Inhibitors of Glucose-6-phosphate Dehydrogenase and Uses Thereof THE TRUSTEES OF PRINCETON UNIVERSITY 2023-11-02 — — US disclosed
WO-2021146543-A1 INHIBITORS OF GLUCOSE-6-PHOSPHATE DEHYDROGENASE AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-07-22 — — WO disclosed
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 — — 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-20230348401-A1 Inhibitors of Glucose-6-phosphate Dehydrogenase and Uses Thereof G6PD, UGDH, GPI GRM5 1633/4885MAOB 709/4885MAOA 612/4885

“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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