SCHEMBL1992408

SCHEMBL1992408

CN1CCN(c2nccc(CC(N)=O)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
AOC3 Q16853 2/20 0.45
PANK3 Q9H999 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ACACB O00763 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 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
SCHEMBL16815333 0.81 ACHE (0.50) ACHEHRH4HRH3HTR1ADRD2
SCHEMBL30585414 0.80 KDM4E (0.58) ACHEHRH4HRH3ACACBKDM4E
SCHEMBL30230267 0.79 HTR1A (0.56) ACHEHRH4HRH3HTR1ADRD2
SCHEMBL24920548 0.75 ACHE (0.48) ACHEAOC3HRH4HRH3CA12
SCHEMBL21392900 0.75 ACHE (0.46) ACHEACACB
SCHEMBL20425054 0.74 ACHE (0.60) ACHEPANK3KDM4E
SCHEMBL11113279 0.74 ACHE (0.51) ACHEHRH4HRH3
SCHEMBL15188017 0.74 ACHE (0.49) ACHEHRH4HRH3ACACBKDM4E
SCHEMBL28082074 0.74 MAPK8 (0.49) ACHEAOC3PANK3KDM4E
SCHEMBL4042112 0.72 HTR3A (0.53) ACHEPANK3HRH4HRH3

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 ACHE 4127/4885AOC3 2875/4885PANK3 1206/4885

“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.