SCHEMBL11935442

SCHEMBL11935442

Cc1cc(NCC2CCC(N)CC2)cc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.41
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GAS6 Q14393 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ PAK1 Q13153 2/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ PRKCQ Q04759 2/20 0.32
▸ CCNK O75909 1/20 0.32

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
SCHEMBL13439186 1.00 SYK (0.41) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL17090433 0.80 HTR2A (0.39) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL25039259 0.79 CNR1 (0.39) AXLFLT3TYRO3MERTKGAS6
SCHEMBL30279036 0.79 CNR1 (0.39) AXLFLT3TYRO3MERTKGAS6
SCHEMBL13565472 0.79 GRIA2 (0.35) SYKLMNA
SCHEMBL13439178 0.77 CYP3A4 (0.35) CYP3A4SCN5ASCN9APAK1PAK4
SCHEMBL11935444 0.77 CYP3A4 (0.35) CYP3A4SCN5ASCN9APAK1PAK4
SCHEMBL13438770 0.77 CYP2A6 (0.40) SYKCYP3A4SCN5ASCN9APAK1
SCHEMBL11934897 0.77 CYP2A6 (0.40) SYKCYP3A4SCN5ASCN9APAK1
SCHEMBL11935443 0.75 PTGER4 (0.39) PDE4APDE4BPDE4CPDE4DIRAK4

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R SYK 674/4885PDE4A 2051/4885PDE4B 1858/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SYK 1034/4885PDE4A 2270/4885PDE4B 2126/4885

“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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