SCHEMBL3774077

SCHEMBL3774077

COC(=O)CC1(N)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP2C19 P33261 1/20 0.52
KDM1A O60341 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
GRIN2B Q13224 2/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44

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
Hydrochloric Acid SCHEMBL15608731 0.99 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL31722609 0.90 MEN1 (0.52) SMN1; SMN2NPC1RAB9AHTTMEN1
Hydrochloric Acid SCHEMBL7581386 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL3779074 0.87 MEN1 (0.57) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL16049759 0.86 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL16126099 0.86 HTT (0.57) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL15774906 0.86 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHTTMEN1
Hydrochloric Acid SCHEMBL15774920 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL14188141 0.84 HTT (0.55) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL978529 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTMEN1

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-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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 (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-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 SMN1; SMN2 1311/4885NPC1 3106/4885RAB9A 916/4885
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B SMN1; SMN2 4553/4885NPC1 3959/4885RAB9A 2665/4885

“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.