SCHEMBL1994671

SCHEMBL1994671

NC(=O)Cn1cc(CC2CCN(C(=O)O)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
PRSS1 P07477 2/20 0.48
IDO1 P14902 1/20 0.45
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
HTR6 P50406 2/20 0.41
GAA P10253 1/20 0.41
ICMT O60725 1/20 0.40

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 0.87 ICMT (0.46) F2PRSS1IDO1ALDH1A1L3MBTL1
SCHEMBL1992845 0.84 CHRM2 (0.48) F2PRSS1IDO1KDM4EHTR6
SCHEMBL1994166 0.83 MEN1 (0.47) F2PRSS1IDO1ALDH1A1L3MBTL1
SCHEMBL30979650 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMAPTGFER
SCHEMBL13348961 0.76 IDO1 (0.58) IDO1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL29982985 0.73 ALDH1A1 (0.65) IDO1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL450556 0.72 MEN1 (0.46) KMT2AMEN1GAA
SCHEMBL2636547 0.70 MEN1 (0.68) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL6177917 0.70 CYP2C9 (0.57) ALDH1A1KMT2AMEN1
SCHEMBL18043819 0.70 CYP2C9 (0.50) ALDH1A1KMT2AMEN1GAA

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
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 F2 1048/4885PRSS1 1370/4885IDO1 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.