SCHEMBL4801634

SCHEMBL4801634

Cc1c(N2CCCCC2)c(N2CCCC2)nc(N)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPY5R Q15761 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NUDT1 P36639 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4796229 0.98 CHRM3 (0.33) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4652371 0.85 CTSK (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4652608 0.78 HTT (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4803387 0.77 CYP1A2 (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9402027 0.75 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL5944791 0.73 CYP1A2 (0.33) HSD17B10CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4652317 0.72 CTSK (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8687414 0.70 ALDH1A1 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8745723 0.70 MEN1 (0.47) SMN1; SMN2HSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL11187345 0.68 MEN1 (0.42) SMN1; SMN2CRHBPCRHR2ALDH1A1CYP1A2

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
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

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 3737/4885PDE4A 2047/4885PDE4B 2124/4885

“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.