Sugi Predict

Sugi Predict / Compounds / SCHEMBL13050751

SCHEMBL13050751

SCHEMBL13050751

COc1cccc2c1-c1[nH]nc(C(=O)O)c1CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ HCAR2 Q8TDS4 4/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ PDGFRB P09619 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
SCHEMBL13050752 0.85 AR (0.44) ARNR3C1KDM4EALDH1A1HPGD
SCHEMBL3515978 0.82 PDGFRB (0.42) KDM4EALDH1A1HSD17B10ALPLCA12
SCHEMBL2171482 0.76 KDM4E (0.59) KDM4EALDH1A1HSD17B10ALPLHCAR2
SCHEMBL3747711 0.74 KMT2A (0.44) KDM4EALDH1A1HSD17B10ALPLHCAR2
SCHEMBL3518121 0.74 ALDH1A1 (0.43) ARKDM4EALDH1A1HSD17B10ALPL
SCHEMBL4726990 0.71 PDGFRB (0.40) ALDH1A1ALPLCHEK1HPGDPDGFRB
SCHEMBL2172075 0.69 KDM4E (0.42) KDM4EALDH1A1HSD17B10ALPLHCAR2
SCHEMBL3518546 0.69 MAPT (0.40) KDM4EALDH1A1HSD17B10ALPLMAOB
SCHEMBL3515830 0.68 KDM4E (0.42) KDM4EALDH1A1HPGDPDGFRBHIF1A
SCHEMBL1922596 0.67 KDM4E (0.55) ARNR3C1KDM4EALDH1A1HSD17B10

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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 — — US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 — — US disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 — — WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 — — 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 AR 1984/4885NR3C1 379/4885KDM4E 2916/4885

“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.