SCHEMBL4922297

SCHEMBL4922297

COc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ UGCG Q16739 3/20 0.40
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35

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
SCHEMBL4916106 0.96 NPY1R (0.42) NPY1RNPY5RUGCGADORA2AADORA1
SCHEMBL2657321 0.92 NPY1R (0.40) NPY1RNPY5RUGCGGABRG2GABRB3
SCHEMBL2660844 0.91 NPY1R (0.41) NPY1RNPY5RUGCGADORA2AGABRG2
SCHEMBL2661489 0.91 NPY1R (0.40) NPY1RNPY5RUGCGGABRG2GABRB3
SCHEMBL2662058 0.90 GABRG2 (0.44) NPY1RNPY5RUGCGGABRG2GABRB3
SCHEMBL2669426 0.90 NPY1R (0.40) NPY1RNPY5RADORA2AGABRG2GABRB3
SCHEMBL2661576 0.89 CRHR1 (0.41) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4912799 0.89 GABRG2 (0.49) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2662080 0.89 GABRG2 (0.43) NPY1RNPY5RUGCGGABRG2GABRB3
SCHEMBL2661253 0.89 NPY1R (0.40) NPY1RNPY5RGABRG2GABRB3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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 (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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF NPY1R 126/4885NPY5R 104/4885UGCG 2572/4885

“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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