SCHEMBL5454485

SCHEMBL5454485

COc1ccc2c(c1)c(C(=O)N(C)OC)cn2CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
CNR2 P34972 2/20 0.47
TP53 P04637 1/20 0.46
DRD4 P21917 1/20 0.45
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
HTR1A P08908 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL5446464 0.91 MAPT (0.50) CNR2TP53DRD4HTR2AHTR7
SCHEMBL5448948 0.88 CNR2 (0.47) CNR2
SCHEMBL5451215 0.84 ADRA1D (0.45) CNR2DRD4HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL5448668 0.83 ADRA1D (0.47) CNR2DRD4MAPTALDH1A1LMNA
SCHEMBL5448773 0.81 CNR2 (0.54) CNR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5454585 0.80 CNR2 (0.47) CNR2HTR2AHTR2CALDH1A1
SCHEMBL14412214 0.80 DRD3 (0.50) CNR2DRD4HTR2AALDH1A1DRD2
SCHEMBL5454553 0.79 HTR2A (0.47) CNR2DRD4HTR2AHTR2CHTR1A
SCHEMBL14412213 0.79 HTR1A (0.51) CNR2HTR2AHTR7HTR1AMAPT
SCHEMBL5318855 0.79 CNR2 (0.47) CNR2DRD4HTR2AHTR7HTR1A

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 ALOX15 2011/4885CNR2 106/4885TP53 3721/4885

“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.