SCHEMBL5456124

SCHEMBL5456124

CCCOC1CCN(CCCn2cc(C(C)=O)c3cc(Br)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
CNR1 P21554 6/20 0.46
HRH2 P25021 2/20 0.46
IDO1 P14902 5/20 0.40
ACHE P22303 1/20 0.40
HTR4 Q13639 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KRAS P01116 1/20 0.39
LMNA P02545 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
SCHEMBL5452624 0.93 PRPS1 (0.45) CNR2CNR1HRH2ACHEHTR4
SCHEMBL14411094 0.92 CNR2 (0.46) CNR2CNR1HRH2IDO1ACHE
SCHEMBL5443271 0.86 SMN1; SMN2 (0.55) CNR2CNR1HRH2ALDH1A1SMN1; SMN2
SCHEMBL5448665 0.84 CNR2 (0.49) CNR2CNR1HRH2ALDH1A1SMN1; SMN2
SCHEMBL14463865 0.83 SMN1; SMN2 (0.40) CNR2CNR1HRH2ALDH1A1SMN1; SMN2
SCHEMBL5448029 0.83 IDO1 (0.49) CNR2CNR1HRH2IDO1
SCHEMBL5441698 0.81 HRH2 (0.46) CNR2CNR1HRH2IDO1ALDH1A1
SCHEMBL5460523 0.80 CREBBP (0.52) CNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL5451923 0.79 KCNH2 (0.51) CNR2CNR1HRH2ALDH1A1SMN1; SMN2
SCHEMBL5453786 0.78 HTR2A (0.47) CNR2CNR1HRH2ACHEHTR4

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 106/4885CNR1 65/4885HRH2 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.