SCHEMBL3586980

SCHEMBL3586980

CCCC1=NC(C(=O)OC)CN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL2801250 0.80 MMP2 (0.41) ALDH1A1NAAA
SCHEMBL3593373 0.79 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL949382 0.75 NAAA (0.43) NAAA
SCHEMBL3601324 0.74 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8308785 0.69 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30069844 0.67 HTT (0.42) ALDH1A1SMN1; SMN2
SCHEMBL3587638 0.67 CNR2 (0.36) ALDH1A1SMN1; SMN2NAAACHRNB2CHRNA4
SCHEMBL3590648 0.65 FKBP1A (0.38) ALDH1A1SMN1; SMN2
SCHEMBL2220133 0.61 KDM4E (0.34) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26692202 0.61 DNTT (0.36) SMN1; SMN2

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 ALDH1A1 3/4885SMN1; SMN2 965/4885NAAA 2989/4885

“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.