SCHEMBL31369919

SCHEMBL31369919

Cn1cncc1CCNCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.41
SLC40A1 Q9NP59 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
CHRM5 P08912 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TBXAS1 P24557 4/20 0.34
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CYP2C9 P11712 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
CYP2A6 P11509 1/20 0.33
CNR1 P21554 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2A13 Q16696 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL31369367 0.84 AGTR1 (0.38) SLC40A1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL1768417 0.82 CYP11B1 (0.41) CHRM5CYP11B1CYP11B2TBXAS1CHRM4
SCHEMBL25217416 0.81 NAMPT (0.47) NAMPTSLC40A1PIK3CAPIK3CGCHRM5
SCHEMBL18381246 0.79 SMN1; SMN2 (0.46) NAMPTTBXAS1LMNAPTGS1PTGS2
SCHEMBL25455194 0.78 CHRM4 (0.37) NAMPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL4393099 0.78 QPCT (0.47) NAMPTPIK3CAPIK3CGLMNAPTGS1
SCHEMBL18381439 0.76 NAMPT (0.41) NAMPTPIK3CAPIK3CGCYP11B1CYP11B2
SCHEMBL16310127 0.76 NAMPT (0.38) NAMPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL14415982 0.75 CHRM5 (0.40) NAMPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL9241438 0.75 NAMPT (0.39) NAMPTPIK3CAPIK3CGCHRM5CYP11B1

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 NAMPT 3710/4885SLC40A1 1589/4885PIK3CA 4621/4885

“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.