SCHEMBL4716167

SCHEMBL4716167

Clc1cccc2sc(-c3cccc(-c4cncc(CN5CCN(c6ccncc6)CC5)c4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.46
DRD4 P21917 10/20 0.46
DRD3 P35462 10/20 0.46
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
LSS P48449 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR1A P08908 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACHE P22303 1/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX7 Q99572 1/20 0.37
SLC2A1 P11166 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4714758 0.80 PARP1 (0.49) DRD2DRD4DRD3HTR1ASLC2A1
SCHEMBL4712505 0.72 SLC2A1 (0.53) DRD2LSSHRH2HTR1ASLC2A1
SCHEMBL4712921 0.72 BDKRB1 (0.52) DRD2DRD4DRD3LSSHRH2
SCHEMBL5628622 0.70 SLC2A1 (0.51) LSSHRH2HRH1HRH3SLC2A1
SCHEMBL7502588 0.70 DRD4 (0.83) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL2135948 0.66 LMNA (0.56) NPC1LMNAMAPT
SCHEMBL14587782 0.66 DRD4 (0.53) DRD2DRD4DRD3ACHE
SCHEMBL4716340 0.66 SLC2A1 (0.41) LMNAHRH2CYP2D6GRIN2BSLC2A1
SCHEMBL4713546 0.66 SLC2A1 (0.44) DRD2HRH2HTR1ASLC2A1
SCHEMBL14758336 0.65 NPC1 (0.53) DRD2DRD4DRD3NPC1MAPT

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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US 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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US 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 DRD2 1927/4885DRD4 3374/4885DRD3 2798/4885

“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.