SCHEMBL1997808

SCHEMBL1997808

COCCN1CCC(Cn2nc(CC(N)=O)c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
CNR1 P21554 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
PIK3R3 Q92569 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ROCK2 O75116 4/20 0.42
HTR4 Q13639 5/20 0.42
HRH1 P35367 1/20 0.40
GSK3B P49841 1/20 0.40
REN P00797 1/20 0.39
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
PARP1 P09874 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1993549 0.94 LTA4H (0.41) PADI4CNR1PIK3CDPIK3R2PIK3CA
SCHEMBL1995634 0.88 PADI4 (0.47) PADI4CNR1ROCK2HTR4ACHE
SCHEMBL1991422 0.87 RECQL (0.47) LIPGHRH1
SCHEMBL1996234 0.86 CNR1 (0.46) PADI4CNR1ROCK2ACHECNR2
SCHEMBL1993250 0.86 ROCK2 (0.50) PADI4CNR1PIK3CDPIK3R2PIK3CA
SCHEMBL1997265 0.82 RECQL (0.46) LIPGROCK2HRH1ROCK1
SCHEMBL1994502 0.80 ROCK2 (0.44) PADI4CNR1ROCK2HRH1ACHE
SCHEMBL1996125 0.79 PADI4 (0.47) PADI4CNR1PIK3CDPIK3R2PIK3CA
SCHEMBL1992840 0.79 KDM4E (0.46) PADI4CNR1PIK3CDPIK3R2PIK3CA
SCHEMBL1992793 0.78 PADI4 (0.45) PADI4CNR1ROCK2RENACHE

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 PADI4 795/4885CNR1 215/4885PIK3CD 1764/4885

“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.