SCHEMBL4173013

SCHEMBL4173013

c1cnc2c(c1)CCC1CCNC21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA2 Q15822 1/20 0.43
PRCP P42785 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CYP2D6 P10635 4/20 0.35
CXCR4 P61073 2/20 0.35

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
SCHEMBL20482729 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL4181457 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL4170855 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL4173733 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL13875186 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL4170860 0.91 PRCP (0.44) CHRNB2CHRNA4CHRNB4CHRNA2PRCP
SCHEMBL4173032 0.84 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4188457 0.84 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL5547748 0.75 CXCR4 (0.42) CYP2D6CXCR4
SCHEMBL3869434 0.74 PRCP (0.43) CHRNB2CHRNA4CHRNB4CHRNA2PRCP

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-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 CHRNB2 4068/4885CHRNA4 4207/4885CHRNB4 3774/4885

“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.