SCHEMBL1994166

SCHEMBL1994166

NC(=O)Cn1cc(CC2CCNCC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IDO1 P14902 1/20 0.47
SLC6A4 P31645 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ICMT O60725 1/20 0.42
GBA1 P04062 1/20 0.40
F2 P00734 2/20 0.39
HTR4 Q13639 1/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL1994850 0.84 ICMT (0.46) MEN1KMT2AIDO1ALDH1A1L3MBTL1
SCHEMBL1994671 0.83 F2 (0.48) MEN1KMT2AIDO1ALDH1A1L3MBTL1
SCHEMBL30979650 0.79 ALDH1A1 (0.55) KMT2AALDH1A1
SCHEMBL13348961 0.78 IDO1 (0.58) MEN1KMT2AIDO1ALDH1A1L3MBTL1
SCHEMBL1992845 0.77 CHRM2 (0.48) IDO1F2PRSS1
SCHEMBL28780669 0.74 SLC6A4 (0.75) SLC6A4ALDH1A1GBA1HTR4
SCHEMBL7454904 0.73 GBA1 (0.49) SLC6A4GBA1
SCHEMBL29982985 0.72 ALDH1A1 (0.65) MEN1KMT2AIDO1ALDH1A1L3MBTL1
SCHEMBL5726304 0.71 HTR6 (0.72)
SCHEMBL28512724 0.70 IDO1 (0.60) MEN1KMT2AIDO1ALDH1A1L3MBTL1

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 MEN1 427/4885KMT2A 3648/4885IDO1 120/4885

“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.