SCHEMBL5452013

SCHEMBL5452013

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
CNR1 P21554 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
CYP2D6 P10635 1/20 0.39
HTR4 Q13639 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
SCHEMBL5441690 0.91 CNR2 (0.46) CNR2CYP2D6
SCHEMBL5457390 0.89 PDE10A (0.48) CNR2CNR1HTR4
SCHEMBL5450949 0.88 CNR2 (0.46) CNR2CNR1
SCHEMBL5444353 0.87 CNR2 (0.44) CNR2CNR1HTR4
SCHEMBL5457594 0.86 MAPT (0.49) CNR2CNR1HRH3
SCHEMBL5451529 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL5448714 0.84 CNR2 (0.52) CNR2CNR1
SCHEMBL5451130 0.84 CNR2 (0.51) CNR2HRH3
SCHEMBL5454512 0.83 CNR2 (0.46) CNR2CNR1
SCHEMBL5446481 0.83 CNR2 (0.44) CNR2CNR1

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 3 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

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 65/4885HRH3 527/4885

“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.