SCHEMBL5453540

SCHEMBL5453540

CCCCC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CNR1 P21554 3/20 0.43
HRH2 P25021 1/20 0.41
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
ADRA1D P25100 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
SCHEMBL14464406 0.89 CNR2 (0.42) CNR2CNR1
SCHEMBL5489063 0.89 CNR2 (0.47) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5454089 0.84 CNR2 (0.47) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5444213 0.82 KCNH2 (0.52) CNR2HTR2AHTR2CHTR2BHRH2
SCHEMBL5455150 0.80 CHRM1 (0.52) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5445383 0.79 HTR2A (0.56) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5452999 0.79 KMT2A (0.52) CNR2CNR1
SCHEMBL5453786 0.79 HTR2A (0.47) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL5451287 0.78 L3MBTL1 (0.54) CNR2CNR1TSHR
SCHEMBL5442878 0.78 HTR2A (0.47) CNR2HTR2AHTR2CHTR2BCNR1

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 106/4885HTR2A 396/4885HTR2C 386/4885

“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.