SCHEMBL4698936

SCHEMBL4698936

CCOC(=O)CN(C)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.36
F10 P00742 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RY12 Q9H244 5/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 2/20 0.32
ENPP2 Q13822 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4702236 0.92 P2RY12 (0.34) BDKRB2F10PDK1PDK2PDK3
SCHEMBL4700441 0.89 BDKRB2 (0.38) BDKRB2TAS1R3TAS1R1OPRM1OPRK1
SCHEMBL4698315 0.88 ROCK2 (0.34) BDKRB2F10PDK1PDK2PDK3
SCHEMBL4698540 0.85 OPRM1 (0.35) BDKRB2F10PDK1PDK2PDK3
SCHEMBL4703609 0.82 AVPR2 (0.39) BDKRB2PDK1PDK2PDK3PDK4
SCHEMBL4700242 0.82 PDK1 (0.40) BDKRB2PDK1PDK2PDK3PDK4
SCHEMBL4698850 0.81 BDKRB2 (0.35) BDKRB2TAS1R3TAS1R1OPRM1OPRK1
SCHEMBL4756002 0.80 ALDH1A1 (0.39) BDKRB2TAS1R3TAS1R1OPRM1OPRK1
SCHEMBL4698590 0.78 BDKRB2 (0.40) BDKRB2ALDH1A1L3MBTL1ROCK2KMT2A
SCHEMBL4701325 0.77 RAB9A (0.39) BDKRB2TAS1R3TAS1R1ALDH1A1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 WO claimed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 BDKRB2 73/4885F10 471/4885PDK1 1375/4885

“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.