SCHEMBL5331925

SCHEMBL5331925

c1ccc(OCCCN2CCCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.67
HRH1 P35367 4/20 0.67
HRH2 P25021 3/20 0.67
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 1/20 0.64
KCNH2 Q12809 1/20 0.60
LTA4H P09960 2/20 0.59
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
DRD3 P35462 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL9097701 0.94 LTA4H (0.66) HRH3HRH1HRH2ALDH1A1SMN1; SMN2
SCHEMBL5455464 0.92 LTA4H (0.69) HRH3HRH1HRH2ALDH1A1SMN1; SMN2
SCHEMBL5752269 0.89 LTA4H (0.64) HRH3HRH1HRH2ALDH1A1SMN1; SMN2
SCHEMBL22266155 0.88 LTA4H (0.62) HRH3KCNH2LTA4H
SCHEMBL22266165 0.87 LTA4H (0.58) HRH3HRH1HRH2ALDH1A1SMN1; SMN2
SCHEMBL9122265 0.85 LTA4H (0.77) ALDH1A1SMN1; SMN2KDM4ELTA4HMEN1
SCHEMBL211606 0.85 LTA4H (0.77) ALDH1A1SMN1; SMN2KDM4ELTA4HMEN1
SCHEMBL492205 0.85 HRH3 (0.84) HRH3HRH1HRH2ALDH1A1SMN1; SMN2
SCHEMBL1714272 0.84 HRH3 (0.92) HRH3HRH1HRH2
SCHEMBL2823877 0.84 HRH3 (0.87) HRH3HRH1HRH2ALDH1A1SMN1; SMN2

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
CN-117903096-A Cinnamoyl-substituted unsaturated nitrogen-containing heterocycle-containing oxygen-containing compound, composition, preparation method and application 贵州大学 2024-04-19 CN 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
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
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 HRH3 527/4885HRH1 502/4885HRH2 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.