SCHEMBL2669395

SCHEMBL2669395

COc1cnccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ UGCG Q16739 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ LITAF Q99732 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL4921275 0.94 GABRG2 (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2662058 0.90 GABRG2 (0.44) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4916106 0.90 NPY1R (0.42) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2669426 0.88 NPY1R (0.40) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2669534 0.87 LCK (0.46) TSHRMAPK10LCKBTKCYP1A2
SCHEMBL4921068 0.86 NPY1R (0.39) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4917204 0.86 GABRG2 (0.37) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4922297 0.86 NPY1R (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2669415 0.86 GABRG2 (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4919174 0.85 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 5 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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF NPY1R 126/4885NPY5R 104/4885GABRG2 592/4885

“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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