SCHEMBL5628622

SCHEMBL5628622

Clc1cccc2[nH]c(-c3cccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.51
GNRHR P30968 6/20 0.45
HRH2 P25021 2/20 0.45
TACR2 P21452 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PARP1 P09874 9/20 0.45
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LSS P48449 1/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
DHODH Q02127 1/20 0.42

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
SCHEMBL4712505 0.94 SLC2A1 (0.53) SLC2A1GNRHRHRH2TACR2OPRM1
SCHEMBL4714758 0.91 PARP1 (0.49) SLC2A1GNRHRPARP1AURKAKDR
SCHEMBL4713546 0.88 SLC2A1 (0.44) SLC2A1GNRHRHRH2TACR2OPRM1
SCHEMBL4714133 0.86 GNRHR (0.40) SLC2A1GNRHRPARP1AURKAAURKB
SCHEMBL4713139 0.86 DRD4 (0.54) SLC2A1GNRHRHRH2TACR2OPRM1
SCHEMBL4711380 0.85 LMNA (0.47) SLC2A1GNRHRHRH2TACR2OPRM1
SCHEMBL4716340 0.84 SLC2A1 (0.41) SLC2A1GNRHRHRH2TACR2OPRM1
SCHEMBL4713370 0.77 SSTR5 (0.40) SLC2A1HRH3AURKAAURKB
SCHEMBL4714710 0.77 SSTR5 (0.36) SLC2A1AURKA
SCHEMBL4716697 0.75 SSTR5 (0.36) AURKAAURKB

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 4 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
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

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 1135/4885HRH2 14/4885

“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.