SCHEMBL4714752

SCHEMBL4714752

O=C1c2c(Cl)cccc2CN1c1cccc(-c2cncc(OCC3CCNCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
EP300 Q09472 1/20 0.40
AKT1 P31749 2/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 1/20 0.40
PARP1 P09874 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CHRNB1 P11230 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB3 Q05901 2/20 0.38
PRKCZ Q05513 1/20 0.38
KDM1A O60341 3/20 0.38
INPPL1 O15357 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
BDKRB1 P46663 1/20 0.37

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
SCHEMBL4716498 0.92 AKT1 (0.41) HTR2AHTR2CHTR2BAKT1CHRNB2
SCHEMBL4711961 0.87 HTR6 (0.44) HTR2AHTR2CHTR2BPARP1BDKRB1
SCHEMBL4712314 0.87 BDKRB1 (0.49) HTR2AHTR2CHTR2BCHRNB2CHRNB1
SCHEMBL4717297 0.84 PARP1 (0.40) HTR2AHTR2CHTR2BPARP1BDKRB1
SCHEMBL4717502 0.83 IKBKB (0.46) HTR2AHTR2CHTR2BPARP1KDM1A
SCHEMBL5632155 0.79 BDKRB1 (0.48) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4716630 0.79 HTR2A (0.41) HTR2AHTR2CHTR2BCHRNB2PARP1
SCHEMBL4712857 0.79 PARP1 (0.40) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL4712854 0.79 PARP1 (0.40) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL4714914 0.77 HTR2C (0.43) HTR2AHTR2CHTR2BPARP1IKBKB

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 3 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 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 HTR2A 742/4885HTR2C 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.