SCHEMBL3587638

SCHEMBL3587638

COC(=O)C1CNC(C2CCCCC2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
NISCH Q9Y2I1 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 2/20 0.32
NAAA Q02083 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3601324 0.73 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8308785 0.68 CHRNB2 (0.33) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3586980 0.67 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1NAAACHRNB2CHRNB4
SCHEMBL3593373 0.66 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28615639 0.65 POLB (0.38) SMN1; SMN2ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL2220133 0.64 KDM4E (0.34) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL9678381 0.62 LMNA (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL1669160 0.62 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1POLBCHRNB2CHRNB4
SCHEMBL1219868 0.61 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1SLC6A2SLC6A4NPSR1
SCHEMBL3362858 0.61 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1SLC6A2SLC6A4NPSR1

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-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 CNR2 175/4885NISCH 153/4885PKM 165/4885

“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.