SCHEMBL5454512

SCHEMBL5454512

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
CCR3 P51677 6/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 2/20 0.42
HRH1 P35367 5/20 0.40
KCNH2 Q12809 4/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CCR1 P32246 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
SCHEMBL5450949 0.93 CNR2 (0.46) CNR2CCR3CNR1HRH1KCNH2
SCHEMBL5440891 0.90 PDE10A (0.51) CNR2CCR3MEN1USP2ALDH1A1
SCHEMBL5460386 0.90 CNR2 (0.47) CNR2CNR1MAPTRAB9A
SCHEMBL5463321 0.89 SCD (0.48) CNR2CCR3CNR1HRH1
SCHEMBL5441980 0.87 PDE10A (0.47) CNR2CCR3MEN1USP2ALDH1A1
SCHEMBL5450027 0.86 ALDH1A1 (0.47) CNR2CCR3MEN1ALDH1A1KMT2A
SCHEMBL5460619 0.86 PDE10A (0.50) CNR2CCR3MEN1USP2ALDH1A1
SCHEMBL5460328 0.85 PDE10A (0.49) CNR2CCR3MEN1USP2ALDH1A1
SCHEMBL5446481 0.84 CNR2 (0.44) CNR2CNR1
SCHEMBL5450875 0.84 CNR2 (0.47) CNR2CCR3CNR1HRH1KCNH2

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 106/4885CCR3 1400/4885MEN1 2039/4885

“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.