SCHEMBL5457331

SCHEMBL5457331

CC(=O)c1cn(CCCN2CCCC(Cc3ccccc3Cl)C2)c2c(Br)cccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 3/20 0.44
CNR1 P21554 2/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
CREBBP Q92793 2/20 0.38
CFD P00746 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR3 P51677 4/20 0.37
HTR2A P28223 3/20 0.37
HRH2 P25021 1/20 0.37
CNR2 P34972 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5443022 0.94 PRPS1 (0.45) PRPS1CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5448730 0.92 CNR1 (0.42) PRPS1CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5445658 0.91 CNR1 (0.43) PRPS1CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5446533 0.88 ALDH1A1 (0.42) PRPS1CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5450982 0.88 PRPS1 (0.45) PRPS1CNR1CREBBPCFDALDH1A1
SCHEMBL5444300 0.86 CNR1 (0.40) PRPS1CNR1CFDCCR3HRH2
SCHEMBL5448661 0.84 PKM (0.43) PRPS1CNR1KDM4EALDH1A1CNR2
SCHEMBL5461415 0.83 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL14464374 0.83 CHRNB2 (0.41) PRPS1CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5452640 0.82 ALDH1A1 (0.48) CNR1CHRNB2CHRNB4CHRNA3CHRNA4

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 4276/4885CNR1 65/4885CHRNB2 1071/4885

“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.