SCHEMBL5891002

SCHEMBL5891002

COc1cc(C(=O)N2Cc3ccc(C(=O)N(C)Cc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.44
AVPR1A P37288 2/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 1/20 0.37
CLK1 P49759 1/20 0.35
MAPT P10636 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PDK1 Q15118 5/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 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
SCHEMBL5891168 0.93 AVPR2 (0.49) AVPR2AVPR1AROCK2ROCK1CLK1
SCHEMBL5891177 0.91 AVPR1A (0.40) AVPR2AVPR1AROCK2GPBAR1PDK1
SCHEMBL5891270 0.91 AVPR2 (0.39) AVPR2AVPR1ACLK1MAPTPDK1
SCHEMBL5891612 0.91 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1CLK1
SCHEMBL5891697 0.89 AVPR2 (0.45) AVPR2AVPR1AROCK2ROCK1CLK1
SCHEMBL5890770 0.89 AVPR2 (0.42) AVPR2AVPR1AROCK2GPBAR1HTR2A
SCHEMBL5891244 0.88 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1CLK1
SCHEMBL5891272 0.88 AVPR2 (0.37) AVPR2CLK1MAPTPDK1HTR2A
SCHEMBL5890766 0.87 AVPR2 (0.43) AVPR2AVPR1AROCK2ROCK1PDK1
SCHEMBL5785196 0.86 AVPR2 (0.48) AVPR2AVPR1AROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885AVPR1A 33/4885ROCK2 4797/4885

“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.