SCHEMBL5452607

SCHEMBL5452607

CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 3/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
CNR1 P21554 4/20 0.39
ALK Q9UM73 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5444562 0.91 CCR1 (0.45) PRPS1MAOAMAOBIDO1CNR1
SCHEMBL5453706 0.90 CNR2 (0.49) PRPS1MAOAMAOBCNR1HRH3
SCHEMBL5344053 0.87 SMN1; SMN2 (0.53) CNR2ALDH1A1SMN1; SMN2
SCHEMBL5461402 0.86 PRPS1 (0.42) PRPS1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5446726 0.86 PRPS1 (0.42) PRPS1IDO1CNR1CNR2ALDH1A1
SCHEMBL5453982 0.85 CNR2 (0.49) CNR1CNR2
SCHEMBL14412003 0.84 PRPS1 (0.46) PRPS1IDO1CNR1ALKCNR2
SCHEMBL5448029 0.84 IDO1 (0.49) IDO1CNR1CNR2
SCHEMBL5452624 0.83 PRPS1 (0.45) PRPS1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5453021 0.82 PRPS1 (0.43) PRPS1CNR1HRH3SIGMAR1

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 PRPS1 4276/4885MAOA 1831/4885MAOB 1224/4885

“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.