SCHEMBL5455464

SCHEMBL5455464

c1ccc(OCCN2CCCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.69
HRH3 Q9Y5N1 2/20 0.58
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
BACE1 P56817 1/20 0.55
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL211606 0.94 LTA4H (0.77) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL9122265 0.94 LTA4H (0.77) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5331925 0.92 HRH3 (0.67) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL9097701 0.85 LTA4H (0.66) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL15652139 0.85 LTA4H (0.68) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL5456167 0.85 LTA4H (0.68) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL16825686 0.85 LTA4H (0.68) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL255201 0.85 LTA4H (0.86) LTA4HHRH3KDM4EALDH1A1BACE1
SCHEMBL22266156 0.84 LTA4H (0.65) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL5752269 0.84 LTA4H (0.64) LTA4HHRH3HRH2HRH1ALDH1A1

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR LTA4H 2587/4885HRH3 527/4885HRH2 418/4885

“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.