SCHEMBL4698540

SCHEMBL4698540

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 1/20 0.35
F10 P00742 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
P2RY12 Q9H244 6/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33

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
SCHEMBL4702365 0.89 OPRM1 (0.34) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL4703609 0.87 AVPR2 (0.39) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL4698936 0.85 BDKRB2 (0.36) OPRM1OPRK1OPRL1F10TAS1R3
SCHEMBL4702800 0.82 KMT2A (0.40) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL4702236 0.81 P2RY12 (0.34) OPRM1OPRK1OPRL1F10TAS1R3
SCHEMBL4701668 0.81 ALDH1A1 (0.39) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL4698315 0.77 ROCK2 (0.34) OPRM1OPRK1OPRL1F10TAS1R3
SCHEMBL4701484 0.76 EPHX2 (0.38) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL4700441 0.74 BDKRB2 (0.38) OPRM1OPRK1OPRL1TAS1R3TAS1R1
SCHEMBL6387406 0.73 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1TP53MEN1

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
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-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 OPRM1 3/4885OPRK1 1/4885OPRL1 6/4885

“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.