SCHEMBL5514568

SCHEMBL5514568

CCN(CC)c1c(C)cccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
S100B P04271 1/20 0.46
CYP3A4 P08684 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
TSHR P16473 3/20 0.41
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 2/20 0.39
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
DPP4 P27487 1/20 0.33
MC4R P32245 1/20 0.33
SCN4A P35499 1/20 0.33
MC3R P41968 1/20 0.33
HTR3A P46098 1/20 0.33
SCN5A Q14524 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
SCHEMBL7655945 0.87 ALDH1A1 (0.44) CD44S100BCYP3A4TDP1TSHR
SCHEMBL10935007 0.84 ALDH1A1 (0.40) CD44S100BCYP3A4TDP1TSHR
SCHEMBL18509851 0.76 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6472907 0.75 CYP3A4 (0.52) CD44S100BCYP3A4TDP1TSHR
SCHEMBL3117753 0.75 TRPA1 (0.46) CYP3A4ALDH1A1MAPK1MAPTLMNA
SCHEMBL20421624 0.75 CD44 (0.42) CD44S100BCYP3A4TDP1TSHR
SCHEMBL11884085 0.74 S100B (0.41) S100BCYP3A4TDP1TSHRALDH1A1
SCHEMBL4636717 0.74 S100B (0.48) S100BCYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL6472903 0.73 CYP3A4 (0.50) CD44S100BCYP3A4TDP1TSHR
SCHEMBL10391695 0.73 TAAR1 (0.36) S100BCYP3A4TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506366-B1 High performance curable PPO/monomeric epoxy compositions with tin metal salt compatibilizing agent GEN ELECTRIC (US) 1997-12-29 EP claimed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US disclosed
EP-0487084-B1 Image forming method and apparatus CANON KK (JP) 2002-01-30 EP disclosed
US-5864406-A Method and apparatus for forming halftone images on organic-silver-salt-based printing plates CANON KABUSHIKI KAISHA (JP) 1999-01-26 US disclosed
US-5533452-A Method of peeling a release film from a photosensitive plate blank CANON KABUSHIKI KAISHA (JP) 1996-07-09 US disclosed
EP-0491457-A1 Image forming method and apparatus CANON KABUSHIKI KAISHA (JP) 1992-06-24 EP disclosed
EP-0487260-A1 Printing method CANON KABUSHIKI KAISHA (JP) 1992-05-27 EP disclosed
EP-0487084-A2 Image forming method and apparatus CANON KABUSHIKI KAISHA (JP) 1992-05-27 EP disclosed
US-5073791-A IMAGE FORMING DEVICE CANON KABUSHIKI KAISHA (JP) 1991-12-17 US disclosed
EP-0410287-A2 Polyphosphazene derivatives containing carbonyl groups and variously alkylated tertiary amino groups CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1991-01-30 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-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 CD44 4762/4885S100B 4767/4885CYP3A4 4199/4885

“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.