SCHEMBL5453786

SCHEMBL5453786

CCCCC(=O)c1cn(CCCN2CCC(OCCC)CC2)c2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
CNR2 P34972 9/20 0.47
HRH2 P25021 2/20 0.45
CNR1 P21554 3/20 0.42
ACHE P22303 2/20 0.40
HTR4 Q13639 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5455150 0.88 CHRM1 (0.52) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5444498 0.87 CNR2 (0.45) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5456175 0.87 CNR2 (0.45) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5448665 0.85 CNR2 (0.49) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5442878 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5444213 0.84 KCNH2 (0.52) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5445383 0.83 HTR2A (0.56) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL14411094 0.81 CNR2 (0.46) CNR2HRH2CNR1ACHEHTR4
SCHEMBL14411065 0.79 CNR2 (0.42) HTR2AHTR2CHTR2BCNR2HRH2
SCHEMBL5453540 0.79 CNR2 (0.46) HTR2AHTR2CHTR2BCNR2HRH2

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 HTR2A 396/4885HTR2C 386/4885HTR2B 359/4885

“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.