SCHEMBL5455028

SCHEMBL5455028

CC(=O)c1cn(CCCN2CCCC(Oc3ccc(Cl)cc3)C2)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
HTR3A P46098 5/20 0.42
F10 P00742 1/20 0.40
HTR6 P50406 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5451449 0.90 ATM (0.43) HRH3HTR3AF10ALDH1A1MAPK1
SCHEMBL5450044 0.85 PRPS1 (0.44) HRH3CNR1
SCHEMBL5468063 0.85 HRH3 (0.41) HRH3CNR1
SCHEMBL5446841 0.84 PRPS1 (0.42) HRH3CNR1ALDH1A1
SCHEMBL5462912 0.84 HRH3 (0.41) HRH3
SCHEMBL5448706 0.82 DPP4 (0.40) HRH3ALDH1A1
SCHEMBL14463719 0.81 ATM (0.43) HTR3ACNR1CNR2
SCHEMBL14411395 0.81 ALDH1A1 (0.49) HRH3ALDH1A1
SCHEMBL5435101 0.81 HRH3 (0.44) HRH3HTR3AHTR6CNR1CNR2
SCHEMBL5476485 0.80 HRH3 (0.46) HRH3ALDH1A1

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 HRH3 527/4885HTR3A 373/4885F10 3270/4885

“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.