SCHEMBL4016034

SCHEMBL4016034

O=C(O)CCNCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
CHRM2 P08172 1/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALOX15 P16050 2/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGB5 P18084 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL27597841 0.89 CHRM2 (0.69) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL8507959 0.89 CHRM2 (0.58) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL4928781 0.88 CHRM2 (0.71) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL472123 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL5940283 0.85 CYP1A2 (0.54) SMN1; SMN2RAB9AALOX15HPGDTDP1
SCHEMBL6302679 0.85 CHRM2 (0.58) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL13606953 0.85 CHRM2 (0.58) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL348655 0.82 CHRM2 (0.78) SMN1; SMN2CHRM2NPC1RAB9AALOX15
SCHEMBL27726968 0.81 CHRM2 (0.62) SMN1; SMN2CHRM2NPC1RAB9AALOX15
Acetic Acid SCHEMBL19585270 0.81 SMN1; SMN2 (0.62) SMN1; SMN2CHRM2NPC1RAB9AALOX15

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
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
US-12625144-B2 Chemoselective sensitivity booster for tagging a peptide, peptide conjugate, or similar reactive molecule Indian Institute Of Science Education And Research Bhopal (IN) 2026-05-12 US disclosed
US-20220299521-A1 CHEMOSELECTIVE SENSITIVITY BOOSTER FOR TAGGING A PEPTIDE, PEPTIDE CONJUGATE, OR SIMILAR REACTIVE MOLECULE Indian Institute Of Science Education And Research Bhopal (IN) 2022-09-22 US disclosed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO 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 (2 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-20220299521-A1 CHEMOSELECTIVE SENSITIVITY BOOSTER FOR TAGGING A PEPTIDE, PEPTIDE CONJUGATE, OR SIMILAR REACTIVE MOLECULE PTMS, PA2G4, MAX SMN1; SMN2 3108/4885CHRM2 2746/4885NPC1 2888/4885
US-12625144-B2 Chemoselective sensitivity booster for tagging a peptide, peptide conjugate, or similar reactive molecule DPYSL3, CD2BP2, PTMS SMN1; SMN2 3324/4885CHRM2 1505/4885NPC1 4155/4885

“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.