SCHEMBL4711380

SCHEMBL4711380

Clc1cccc2[nH]c(-c3cccc(-c4ccc(CN5CCN(c6ccncc6)CC5)o4)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
GNRHR P30968 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 5/20 0.40
SLC2A1 P11166 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GRIN2B Q13224 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD4 P21917 2/20 0.36
HRH2 P25021 2/20 0.36
TACR2 P21452 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL5628622 0.85 SLC2A1 (0.51) GNRHRPARP1SLC2A1AURKAAURKB
SCHEMBL4712505 0.85 SLC2A1 (0.53) GNRHRPARP1SLC2A1AURKAAURKB
SCHEMBL4716340 0.83 SLC2A1 (0.41) LMNAGNRHRPARP1SLC2A1CYP1A2
SCHEMBL4713139 0.83 DRD4 (0.54) GNRHRL3MBTL1PARP1SLC2A1CYP1A2
SCHEMBL4714133 0.83 GNRHR (0.40) GNRHRPARP1SLC2A1CYP1A2CYP2D6
SCHEMBL4714758 0.82 PARP1 (0.49) GNRHRPARP1SLC2A1AURKAAURKB
SCHEMBL4713546 0.81 SLC2A1 (0.44) GNRHRPARP1SLC2A1AURKAAURKB
SCHEMBL4713370 0.75 SSTR5 (0.40) LMNAMAPTSLC2A1AURKAAURKB
SCHEMBL4712311 0.72 TSHR (0.42) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4716697 0.72 SSTR5 (0.36) CYP2D6AURKAAURKBALDH1A1

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 LMNA 1762/4885MAPT 3303/4885GNRHR 1135/4885

“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.