SCHEMBL5454585

SCHEMBL5454585

COc1ccc2c(c1)c(C(=O)N(C)OC)cn2CCCN1CCC(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
HRH3 Q9Y5N1 3/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CNR1 P21554 3/20 0.41
HRH2 P25021 2/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
SLC2A1 P11166 1/20 0.40
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL5450930 0.87 CNR2 (0.48) CNR2CNR1HRH2SLC2A1ALDH1A1
SCHEMBL5454553 0.85 HTR2A (0.47) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5441664 0.85 CNR2 (0.45) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5452683 0.84 SLC6A2 (0.53) HTR2A
SCHEMBL5370738 0.82 HRH3 (0.40) CNR2HRH3CBX7CDYL2CDYL
SCHEMBL5446464 0.81 MAPT (0.50) CNR2HTR2AALDH1A1
SCHEMBL5454485 0.80 ALOX15 (0.47) CNR2HTR2AHTR2CALDH1A1
SCHEMBL14412213 0.80 HTR1A (0.51) CNR2HTR2AHTR2BALDH1A1
SCHEMBL5451215 0.79 ADRA1D (0.45) CNR2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5448668 0.79 ADRA1D (0.47) CNR2ALDH1A1

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 106/4885HRH3 527/4885HTR2A 396/4885

“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.