SCHEMBL4796229

SCHEMBL4796229

Cc1c(N2CCCC2)c(N2CCCC2)nc(N)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.33
CYP1A2 P05177 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
NUDT1 P36639 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY5R Q15761 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4801634 0.98 CHRM3 (0.36) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL4652371 0.83 CTSK (0.39) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL4803387 0.78 CYP1A2 (0.38) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL4652608 0.76 HTT (0.49) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL5944791 0.74 CYP1A2 (0.33) CYP1A2MAPTCYP2C19CYP2C9NUDT1
SCHEMBL9402027 0.73 CHRM3 (0.36) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL4652317 0.70 CTSK (0.39) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL11187345 0.69 MEN1 (0.42) CYP1A2CYP2C19CYP2C9CRHBPCRHR2
SCHEMBL5845555 0.69 ADORA2A (0.40) CHRM3CYP1A2PDE4APDE4BPDE4C
SCHEMBL11194853 0.69 MEN1 (0.44) CYP1A2CYP2C19CYP2C9HSD17B10SMN1; SMN2

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
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP 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-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CHRM3 3737/4885CYP1A2 3751/4885PDE4A 2047/4885

“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.