SCHEMBL1993250

SCHEMBL1993250

CN1CCC(Cn2nc(CC(N)=O)c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
PADI4 Q9UM07 1/20 0.47
CNR1 P21554 3/20 0.45
HRH1 P35367 2/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
PARP1 P09874 2/20 0.42
SSTR4 P31391 1/20 0.41
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
GPR39 O43194 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL1996234 0.89 CNR1 (0.46) ROCK2PADI4CNR1PARP1SSTR4
SCHEMBL1994502 0.88 ROCK2 (0.44) ROCK2PADI4CNR1HRH1ADRA1A
SCHEMBL1996125 0.88 PADI4 (0.47) ROCK2PADI4CNR1HRH1ADRA1A
SCHEMBL1995634 0.88 PADI4 (0.47) ROCK2PADI4CNR1SSTR4ACHE
SCHEMBL1997808 0.86 PADI4 (0.44) ROCK2PADI4CNR1HRH1PARP1
SCHEMBL1991767 0.85 NPY1R (0.40) ROCK2PADI4CNR1HRH1ADRA1A
SCHEMBL1991769 0.85 NPY1R (0.40) ROCK2PADI4CNR1HRH1ADRA1A
SCHEMBL1991766 0.85 NPY1R (0.40) ROCK2PADI4CNR1HRH1ADRA1A
SCHEMBL1998303 0.84 RECQL (0.53) ROCK2ALDH1A1
SCHEMBL1992793 0.84 PADI4 (0.45) ROCK2PADI4CNR1SSTR4ACHE

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 ROCK2 4260/4885PADI4 795/4885CNR1 215/4885

“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.