SCHEMBL2853394

SCHEMBL2853394

Cc1cnc(-c2ccc3[nH]nc(C(=O)OC4CN5CCC4CC5)c3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.45
▸ GSK3B P49841 7/20 0.45
▸ P2RX3 P56373 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ CHRNA7 P36544 2/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ CLK2 P49760 2/20 0.40
▸ CLK3 P49761 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL2853350 1.00 DYRK1A (0.45) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2854214 1.00 DYRK1A (0.45) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL13528911 1.00 DYRK1A (0.45) DYRK1AGSK3BP2RX3P2RX2CHRNA7
Formic Acid SCHEMBL2858610 0.97 DYRK1A (0.43) DYRK1AGSK3BP2RX3P2RX2CHRNA7
Formic Acid SCHEMBL2855641 0.97 DYRK1A (0.43) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2853447 0.93 P2RX3 (0.41) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2853239 0.93 P2RX3 (0.41) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2853242 0.93 P2RX3 (0.41) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2860642 0.92 P2RX3 (0.41) DYRK1AGSK3BP2RX3P2RX2CHRNA7
SCHEMBL2857814 0.92 P2RX3 (0.41) DYRK1AGSK3BP2RX3P2RX2CHRNA7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP claimed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 — — US claimed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US claimed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 — — US disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 — — US disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US 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-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 DYRK1A 2366/4885GSK3B 1971/4885P2RX3 122/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 DYRK1A 2366/4885GSK3B 1971/4885P2RX3 122/4885

“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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