SCHEMBL5451215

SCHEMBL5451215

COc1ccc2c(c1)c(C(=O)N(C)OC)cn2CCCN1CCN(c2ccccc2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.45
CNR2 P34972 2/20 0.44
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.42
HTR1A P08908 4/20 0.42
HTR1D P28221 4/20 0.42
HTR2C P28335 4/20 0.42
HTR7 P34969 4/20 0.42
HTR2B P41595 4/20 0.42
HTR5A P47898 4/20 0.42
HTR6 P50406 4/20 0.42
HTR2A P28223 2/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
DRD4 P21917 1/20 0.41

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
Hydrochloric Acid SCHEMBL5448668 0.91 ADRA1D (0.47) ADRA1DCNR2ADRA1AADRA1BDRD2
SCHEMBL5451043 0.89 HTR1A (0.51) ADRA1DCNR2ADRA1AADRA1BHTR1A
SCHEMBL5446464 0.89 MAPT (0.50) CNR2HTR1AHTR7HTR2ADRD2
SCHEMBL5454485 0.84 ALOX15 (0.47) CNR2HTR1AHTR2CHTR7HTR2A
SCHEMBL14412213 0.82 HTR1A (0.51) CNR2HTR1AHTR7HTR2BHTR2A
SCHEMBL5452683 0.81 SLC6A2 (0.53) HTR2A
Hydrochloric Acid SCHEMBL5454205 0.80 ADRA1D (0.55) ADRA1DCNR2ADRA1AADRA1BHTR1A
SCHEMBL5454585 0.79 CNR2 (0.47) CNR2HTR2CHTR2BHTR2A
SCHEMBL5448773 0.79 CNR2 (0.54) CNR2PIK3CAMTORPIK3CG
SCHEMBL5454553 0.79 HTR2A (0.47) ADRA1DCNR2ADRA1AADRA1BHTR1A

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 1 patent. 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

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 941/4885CNR2 106/4885ADRA1A 934/4885

“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.