SCHEMBL4093715

SCHEMBL4093715

COC(=O)C1CCCCC1N(C)C(=N)N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
EPHX1 P07099 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL4101091 0.83 TAS1R3 (0.37) TAS1R3TAS1R1EPHX1
SCHEMBL19085525 0.83 SLC6A2 (0.40) TAS1R3TAS1R1SLC6A2SLC6A4EPHX1
SCHEMBL4093494 0.81 ALDH1A1 (0.38) EPHX1
SCHEMBL2606448 0.73 TSHR (0.39) TAS1R3TAS1R1SLC6A2SLC6A4EPHX1
SCHEMBL272354 0.72 CHRM2 (0.48) SLC6A2SLC6A4EPHX1CHRM2CHRM4
SCHEMBL11514730 0.72 CHRM2 (0.48) SLC6A2SLC6A4EPHX1CHRM2CHRM4
SCHEMBL8058857 0.72 CHRM2 (0.48) SLC6A2SLC6A4EPHX1CHRM2CHRM4
SCHEMBL13595131 0.72 CHRM2 (0.48) SLC6A2SLC6A4EPHX1CHRM2CHRM4
SCHEMBL25984544 0.72 SLC6A2 (0.36) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4099218 0.71 TAS1R3 (0.49) TAS1R3TAS1R1SLC6A2SLC6A4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TAS1R3 984/4885TAS1R1 972/4885SLC6A2 3405/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TAS1R3 1153/4885TAS1R1 1096/4885SLC6A2 4827/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TAS1R3 805/4885TAS1R1 755/4885SLC6A2 4806/4885
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 TAS1R3 1233/4885TAS1R1 929/4885SLC6A2 1945/4885

“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.