SCHEMBL4135797

SCHEMBL4135797

O=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
HTR6 P50406 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALPL P05186 2/20 0.37
SERPINE1 P05121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HCRTR1 O43613 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CHRM1 P11229 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CCR9 P51686 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KIT P10721 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
SCHEMBL4135800 1.00 CNR1 (0.39) CNR1HTR6ROCK2ROCK1ALPL
SCHEMBL4138421 0.88 SERPINE1 (0.45) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4138419 0.88 SERPINE1 (0.45) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4148533 0.88 NR3C1 (0.39) HTR6ROCK2NAMPTLMNAPOLB
SCHEMBL4148534 0.88 NR3C1 (0.39) HTR6ROCK2NAMPTLMNAPOLB
SCHEMBL4139293 0.87 CNR1 (0.41) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4139291 0.87 CNR1 (0.41) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4143597 0.86 CNR1 (0.39) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4143601 0.86 CNR1 (0.39) CNR1HTR6ROCK2ROCK1SERPINE1
SCHEMBL4133869 0.85 CNR1 (0.41) CNR1HTR6SERPINE1L3MBTL1NAMPT

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
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 CNR1 1177/4885HTR6 1293/4885ROCK2 310/4885

“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.