SCHEMBL2883608

SCHEMBL2883608

O=C1Nc2ncccc2CCC1CO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.42
IDH1 O75874 13/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
GSK3B P49841 1/20 0.39
RIPK1 Q13546 1/20 0.38
DDB1 Q16531 1/20 0.36

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
SCHEMBL8621250 0.78 ANPEP (0.42) CRBNIDH1GSK3BDDB1
SCHEMBL22509084 0.78 ANPEP (0.42) CRBNIDH1GSK3BDDB1
SCHEMBL29415789 0.78 ANPEP (0.42) CRBNIDH1GSK3BDDB1
SCHEMBL31729609 0.78 GSK3B (0.42) CRBNIDH1GSK3BRIPK1DDB1
SCHEMBL8622452 0.78 GSK3B (0.42) CRBNIDH1GSK3BRIPK1DDB1
SCHEMBL2882354 0.75 CRBN (0.45) CRBNIDH1GSK3B
SCHEMBL30160057 0.74 GSK3B (0.42) CRBNIDH1GSK3BDDB1
SCHEMBL23532179 0.74 CRBN (0.49) CRBNIDH1RIPK1DDB1
SCHEMBL20073751 0.74 IDH1 (0.43) CRBNIDH1DDB1
SCHEMBL14893181 0.73 OPRL1 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 CRBN 3470/4885IDH1 3596/4885ADRA2A 56/4885

“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.