SCHEMBL1991769

SCHEMBL1991769

CN1CC[C@H](Cn2nc(CC(N)=O)c3ccccc32)[C@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.40
PADI4 Q9UM07 1/20 0.39
ROCK2 O75116 1/20 0.39
CNR1 P21554 1/20 0.38
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
ADRA1B P35368 2/20 0.37
PARP1 P09874 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
AKR1B1 P15121 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR4 P31391 2/20 0.34
KAT2B Q92831 1/20 0.34
SSTR1 P30872 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL1991766 1.00 NPY1R (0.40) NPY1RPADI4ROCK2CNR1ADRA1A
SCHEMBL1991767 1.00 NPY1R (0.40) NPY1RPADI4ROCK2CNR1ADRA1A
SCHEMBL1996755 0.86 RECQL (0.47) NPY1RALDH1A1HTR2AHTR2C
SCHEMBL1996758 0.86 RECQL (0.47) NPY1RALDH1A1HTR2AHTR2C
SCHEMBL1996759 0.86 RECQL (0.47) NPY1RALDH1A1HTR2AHTR2C
SCHEMBL1993250 0.85 ROCK2 (0.50) PADI4ROCK2CNR1ADRA1AHRH1
SCHEMBL1991126 0.83 CHRM2 (0.39) PARP1
SCHEMBL1991129 0.83 CHRM2 (0.39) PARP1
SCHEMBL1994502 0.82 ROCK2 (0.44) PADI4ROCK2CNR1ADRA1AHRH1
SCHEMBL1996125 0.82 PADI4 (0.47) PADI4ROCK2CNR1ADRA1AHRH1

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 NPY1R 472/4885PADI4 795/4885ROCK2 4260/4885

“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.