SCHEMBL5448773

SCHEMBL5448773

COc1ccc2c(c1)c(C(=O)N(C)OC)cn2CCCN1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.54
CNR1 P21554 3/20 0.49
RAB9A P51151 1/20 0.46
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
G6PD P11413 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL5446464 0.83 MAPT (0.50) CNR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5454485 0.81 ALOX15 (0.47) CNR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL5451215 0.79 ADRA1D (0.45) CNR2PIK3CAMTORPIK3CG
SCHEMBL5454585 0.79 CNR2 (0.47) CNR2CNR1ALDH1A1
Hydrochloric Acid SCHEMBL5448668 0.78 ADRA1D (0.47) CNR2ALDH1A1GAALMNA
SCHEMBL5454553 0.78 HTR2A (0.47) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL14412213 0.78 HTR1A (0.51) CNR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL5446507 0.77 CNR1 (0.64) CNR2CNR1RAB9AALDH1A1GAA
SCHEMBL5452683 0.77 SLC6A2 (0.53) MEN1KMT2A
SCHEMBL5441664 0.76 CNR2 (0.45) CNR2CNR1RAB9APIK3CAMTOR

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 CNR2 106/4885CNR1 65/4885RAB9A 1072/4885

“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.