SCHEMBL1994850

SCHEMBL1994850

CN1CCC(Cc2cn(CC(N)=O)c3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.46
IDO1 P14902 1/20 0.46
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 4/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.43
F2 P00734 3/20 0.43
PRSS1 P07477 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1994671 0.87 F2 (0.48) ICMTIDO1ALDH1A1L3MBTL1HTR6
SCHEMBL1994166 0.84 MEN1 (0.47) ICMTIDO1ALDH1A1L3MBTL1CNR2
SCHEMBL1992845 0.82 CHRM2 (0.48) IDO1HTR6F2PRSS1
SCHEMBL1991929 0.82 ICMT (0.57) ICMTPLK1HTR6CNR1CNR2
SCHEMBL30979650 0.78 ALDH1A1 (0.55) ALDH1A1KMT2A
SCHEMBL13348961 0.77 IDO1 (0.58) ICMTIDO1ALDH1A1L3MBTL1CNR2
SCHEMBL30002493 0.72 PARP2 (0.46)
SCHEMBL1989207 0.71 L3MBTL1 (0.50) ICMTPLK1ALDH1A1L3MBTL1HTR6
SCHEMBL8531490 0.71 KMT2A (0.68) IDO1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL29982985 0.71 ALDH1A1 (0.65) ICMTIDO1ALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO ICMT 1684/4885IDO1 120/4885PLK1 2596/4885

“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.