SCHEMBL4771966

SCHEMBL4771966

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cc(-c2ccco2)n(OC(=O)C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 9/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.37
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
CASP7 P55210 1/20 0.35
MCL1 Q07820 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RET P07949 1/20 0.34
GAA P10253 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4770979 0.78 MAPT (0.43) NPC1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL4775095 0.78 HRH3 (0.41) NPC1SMN1; SMN2HRH3MAPTRAB9A
SCHEMBL4793643 0.76 MAPT (0.47) NPC1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL4769825 0.74 HRH3 (0.41) HRH3HRH1
SCHEMBL4770767 0.72 HRH3 (0.42) HRH3HRH1IRAK4SLC2A1
SCHEMBL4765636 0.71 HRH3 (0.48) NPC1SMN1; SMN2HRH3MAPTHSD17B10
SCHEMBL4772144 0.71 HRH3 (0.42) NPC1HRH3RAB9AHRH1POLB
Trifluoroacetic Acid SCHEMBL4768481 0.71 NPY5R (0.49) HRH3SLC2A1
Trifluoroacetic Acid SCHEMBL4764951 0.71 HRH3 (0.47) NPC1SMN1; SMN2HRH3MAPTRAB9A
SCHEMBL4765487 0.71 HRH3 (0.50) NPC1SMN1; SMN2HRH3KDM4EMAPT

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 NPC1 2009/4885TSHR 1747/4885MAPK1 3196/4885

“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.