SCHEMBL5450033

SCHEMBL5450033

COc1ccccc1C1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.58
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.55
DRD2 P14416 1/20 0.49
HRH2 P25021 5/20 0.49
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA1G O43497 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5446820 0.85 SMN1; SMN2 (0.61) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL5454286 0.83 MAPT (0.59) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL14411257 0.83 SMN1; SMN2 (0.61) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL5453370 0.81 KMT2A (0.58) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL5448886 0.81 ADRA1D (0.51) ADRA1DADRA1AADRA1BHRH2TP53
SCHEMBL5440970 0.80 HRH2 (0.51) ADRA1DDRD2HRH2HTR2AHTR2C
SCHEMBL5451221 0.80 ADRA1D (0.49) ADRA1DADRA1AADRA1BHRH2HTR2A
SCHEMBL5446732 0.79 KCNH2 (0.53) ADRA1DADRA1AADRA1BHTR2AKCNH2
SCHEMBL5442774 0.79 ADRA1D (0.50) ADRA1DADRA1AADRA1BDRD2HRH2
SCHEMBL5338373 0.79 HRH2 (0.50) DRD2HRH2HTR2AHTR2CHTR2B

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-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

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 ADRA1D 941/4885ADRA1A 934/4885ADRA1B 730/4885

“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.