SCHEMBL31369367

SCHEMBL31369367

Cn1cncc1CNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
MAPK1 P28482 3/20 0.36
CHRM5 P08912 3/20 0.36
ITK Q08881 2/20 0.35
SLC40A1 Q9NP59 1/20 0.35
INSR P06213 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CYP2C9 P11712 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
CYP2A6 P11509 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL31369919 0.84 NAMPT (0.41) MAPK1CHRM5SLC40A1CHRM4CHRM1
SCHEMBL13733705 0.79 MAPK1 (0.42) MAPK1CHRM5ITKSLC40A1INSR
SCHEMBL1768417 0.77 CYP11B1 (0.41) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL874048 0.77 CHRM5 (0.41) MAPK1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL12256549 0.77 CHRM5 (0.39) MAPK1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL12256553 0.76 MAPK1 (0.45) MAPK1CHRM5ITKSLC40A1INSR
Hydrochloric Acid SCHEMBL6775586 0.75 KDM4E (0.40) MAPK1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL20671646 0.75 RECQL (0.42) MAPK1CHRM5ITKSLC40A1INSR
SCHEMBL16708772 0.74 CHRM5 (0.39) MAPK1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL22213802 0.73 GPR142 (0.40) MAPK1CHRM5ITKSLC40A1CHRM4

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
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 AGTR1 1775/4885MAPK1 3478/4885CHRM5 4860/4885

“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.