SCHEMBL4173032

SCHEMBL4173032

c1cnc2c(c1)CCC[C@@H]1CCCN[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
CYP2D6 P10635 10/20 0.41
CXCR4 P61073 12/20 0.40
CYP3A4 P08684 2/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA1 P02708 1/20 0.39
ADRA2A P08913 1/20 0.39
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL4188457 1.00 PRCP (0.44) PRCPCYP2D6CXCR4CYP3A4CHRM3
SCHEMBL20482729 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4170855 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4181457 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4173733 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4170860 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL13875186 0.94 PRCP (0.44) PRCPCYP2D6CXCR4
SCHEMBL4173013 0.84 CHRNB2 (0.43) PRCPCYP2D6CXCR4
SCHEMBL5547748 0.78 CXCR4 (0.42) CYP2D6CXCR4CYP3A4OPRM1
SCHEMBL1698216 0.74 HDAC1 (0.40) CYP2D6CXCR4CYP3A4

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 PRCP 679/4885CYP2D6 13/4885CXCR4 2681/4885

“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.