SCHEMBL5445658

SCHEMBL5445658

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PRPS1 P60891 1/20 0.40
SLC6A1 P30531 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CREBBP Q92793 2/20 0.38
CFD P00746 1/20 0.38
NPC1 O15118 1/20 0.37
HTR2A P28223 1/20 0.37
CCR3 P51677 1/20 0.37
CNR2 P34972 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
SCHEMBL5444300 0.95 CNR1 (0.40) CNR1PRPS1CFDCCR3CNR2
SCHEMBL5443022 0.94 PRPS1 (0.45) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5448730 0.92 CNR1 (0.42) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5457331 0.91 PRPS1 (0.44) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5446533 0.88 ALDH1A1 (0.42) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5450982 0.88 PRPS1 (0.45) CNR1PRPS1ALDH1A1CREBBPCFD
SCHEMBL5333900 0.84 PKM (0.43) CNR1ALDH1A1KDM4ECNR2
SCHEMBL14464374 0.83 CHRNB2 (0.41) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5452640 0.82 ALDH1A1 (0.48) CNR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14463908 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A1

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 CNR1 65/4885CHRNB2 1071/4885CHRNB4 1296/4885

“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.