SCHEMBL4698590

SCHEMBL4698590

CN(C)CCN(Cc1ccccc1)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.40
LIMK2 P53671 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTR5A P47898 2/20 0.36
CFTR P13569 1/20 0.36
ROCK2 O75116 2/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLP1R P43220 1/20 0.33
GCGR P47871 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL4701832 0.92 BDKRB2 (0.38) BDKRB2LIMK2KMT2AMEN1HTR5A
SCHEMBL4698698 0.92 PARP1 (0.37) BDKRB2LIMK2KMT2AMEN1CFTR
SCHEMBL4700349 0.84 PARP1 (0.36) BDKRB2LIMK2KMT2AMEN1CFTR
SCHEMBL4700441 0.83 BDKRB2 (0.38) BDKRB2KMT2AMEN1ROCK2MAPT
SCHEMBL6385482 0.81 BDKRB2 (0.51) BDKRB2KMT2AMEN1TMEM97SIGMAR1
SCHEMBL4756002 0.81 ALDH1A1 (0.39) BDKRB2KMT2AMEN1GAAMAPT
SCHEMBL4698844 0.80 ROCK2 (0.34) LIMK2KMT2AMEN1CFTRROCK2
SCHEMBL6391425 0.80 BDKRB2 (0.37) BDKRB2ALDH1A1
SCHEMBL4700242 0.79 PDK1 (0.40) BDKRB2KMT2AMEN1ROCK2TDP1
SCHEMBL4698872 0.79 PARP1 (0.33) BDKRB2LIMK2KMT2AMEN1CFTR

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 BDKRB2 73/4885LIMK2 2007/4885KMT2A 1888/4885

“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.