SCHEMBL5445683

SCHEMBL5445683

CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.47
HTR3A P46098 3/20 0.46
HRH2 P25021 1/20 0.45
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5443271 0.88 SMN1; SMN2 (0.55) CNR2HRH2CNR1ALDH1A1MAPT
SCHEMBL5440790 0.85 CHRM1 (0.52) CNR2CNR1
SCHEMBL5455228 0.84 CNR2 (0.48) CNR2HTR3AHRH2CNR1ALDH1A1
SCHEMBL5446439 0.83 CNR2 (0.47) CNR2HTR3ACNR1ALDH1A1MAPT
SCHEMBL5450872 0.83 CNR2 (0.47) CNR2HTR3A
SCHEMBL5457534 0.83 HTR3A (0.46) CNR2HTR3AHRH2CNR1ALDH1A1
SCHEMBL5460523 0.81 CREBBP (0.52) CNR2CNR1ALDH1A1
SCHEMBL5440332 0.81 KCNH2 (0.52) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL5338373 0.80 HRH2 (0.50) CNR2HRH2CNR1ALDH1A1MAPT
SCHEMBL5451221 0.79 ADRA1D (0.49) CNR2HRH2CNR1

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 CNR2 106/4885HTR3A 373/4885HRH2 418/4885

“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.