SCHEMBL4101485

SCHEMBL4101485

CN1CCN(C)C1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.45
PRMT6 Q96LA8 2/20 0.45
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TSHR P16473 1/20 0.37
PKM P14618 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6928871 0.72 CHRNB4 (0.50) CARM1PRMT6ALDH1A1NPSR1TDP1
SCHEMBL6928868 0.72 CHRNB4 (0.50) CARM1PRMT6ALDH1A1NPSR1TDP1
SCHEMBL11548149 0.71 CARM1 (0.40) CARM1PRMT6MAPK1ALDH1A1NPSR1
SCHEMBL2674960 0.71 POLB (0.68) CARM1PRMT6KDM4EPOLBHTR1A
SCHEMBL12049585 0.70 CARM1 (0.49) CARM1PRMT6ALDH1A1NPSR1TDP1
SCHEMBL7339018 0.70 CARM1 (0.49) CARM1PRMT6ALDH1A1NPSR1TDP1
SCHEMBL7554438 0.69 CHRNB4 (0.46) CARM1PRMT6ALDH1A1KDM4ECHRNB2
SCHEMBL11236449 0.68 CARM1 (0.55) CARM1PRMT6POLB
SCHEMBL21641735 0.66 CHRM1 (0.40) ALDH1A1TDP1KDM4ECHRNB2CHRNB4
SCHEMBL12925024 0.65 CHRM4 (0.47) CARM1PRMT6ALDH1A1NPSR1TDP1

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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 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 (3 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA CARM1 374/4885PRMT6 318/4885MAPK1 1423/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CARM1 1478/4885PRMT6 500/4885MAPK1 1966/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT CARM1 663/4885PRMT6 149/4885MAPK1 1680/4885

“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.