SCHEMBL4716663

SCHEMBL4716663

c1cc2c(c(OC3CC[N]CC3)c1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.45
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PNMT P11086 3/20 0.38
MAOB P27338 1/20 0.38
TIPARP Q7Z3E1 1/20 0.36
HRH1 P35367 2/20 0.36
CD274 Q9NZQ7 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
P2RY1 P47900 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
SCHEMBL17585072 0.87 CD44 (0.49) CD44HTR2CHTR2BPNMTMAOB
Hydrochloric Acid SCHEMBL17583922 0.86 CD44 (0.47) CD44HTR2CHTR2BPNMTMAOB
SCHEMBL5776030 0.82 CD44 (0.44) CD44HTR2CHTR2BTIPARPHRH1
SCHEMBL3243898 0.80 BCL2L1 (0.40) HTR2CHTR2B
SCHEMBL29942325 0.75 HRH1 (0.51) TIPARPHRH1HTR1ASLC6A2SLC6A3
SCHEMBL8177228 0.73 CD44 (0.43) CD44PNMTMAOBCD274
SCHEMBL2358135 0.72 PNMT (0.56) CD44HTR2CHTR2BPNMTMAOB
SCHEMBL31233660 0.72 PNMT (0.56) CD44HTR2CHTR2BPNMTMAOB
SCHEMBL5777017 0.72 CD44 (0.42) CD44HTR2CHTR2BPNMTCD274
SCHEMBL20179487 0.72 CD44 (0.51) CD44PNMTMAOBP2RY1

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CD44 4484/4885HTR2C 1740/4885HTR2B 175/4885

“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.