SCHEMBL4716340

SCHEMBL4716340

Clc1cccc2[nH]c(-c3cccc(-c4ccc(CN5CCN(c6ccncc6)CC5)s4)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
GNRHR P30968 15/20 0.40
TACR2 P21452 1/20 0.39
HRH2 P25021 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GRIN2B Q13224 1/20 0.38

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 0.84 SLC2A1 (0.51) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL4712505 0.84 SLC2A1 (0.53) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL4711380 0.83 LMNA (0.47) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL4713139 0.82 DRD4 (0.54) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL4714133 0.82 GNRHR (0.40) SLC2A1GNRHRPARP1CYP1A2CYP2D6
SCHEMBL4714758 0.81 PARP1 (0.49) SLC2A1GNRHRPARP1
SCHEMBL4713546 0.81 SLC2A1 (0.44) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL4713370 0.74 SSTR5 (0.40) SLC2A1LMNAKMT2A
SCHEMBL4712311 0.72 TSHR (0.42) LMNARECQLKMT2A
SCHEMBL4714710 0.71 SSTR5 (0.36) SLC2A1

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 SLC2A1 2519/4885GNRHR 1135/4885TACR2 121/4885

“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.