SCHEMBL4909505

SCHEMBL4909505

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCCN3CCC(C(N)=O)CC3)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
ACHE P22303 1/20 0.39
HTR4 Q13639 1/20 0.39
DRD2 P14416 6/20 0.37
DRD3 P35462 5/20 0.37
EGFR P00533 2/20 0.36
FLT1 P17948 2/20 0.36
DRD4 P21917 1/20 0.35
HRH1 P35367 2/20 0.35
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR1 P36897 1/20 0.35
GHSR Q92847 2/20 0.34
KDR P35968 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 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
SCHEMBL4909937 0.93 ACHE (0.40) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4910204 0.93 ACHE (0.41) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4910071 0.92 LTA4H (0.38) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4913120 0.92 ACHE (0.44) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4910832 0.92 ALDH1A1 (0.40) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4915255 0.92 DRD2 (0.40) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4910877 0.92 DRD2 (0.40) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4909190 0.92 ACHE (0.41) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4908640 0.92 ACHE (0.41) LTA4HACHEHTR4DRD2DRD3
SCHEMBL4911143 0.91 ACHE (0.38) LTA4HACHEHTR4DRD2DRD3

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
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 LTA4H 2520/4885ACHE 4657/4885HTR4 390/4885

“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.