SCHEMBL3758388

SCHEMBL3758388

N[C@@H](CNc1ccccn1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.66
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
FABP1 P07148 1/20 0.51
FABP6 P51161 1/20 0.51
FDPS P14324 1/20 0.51
CXCR4 P61073 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.44
PCSK9 Q8NBP7 1/20 0.43

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
SCHEMBL4281005 0.84 CYP2D6 (0.72) CYP2D6FABP1FABP6FDPSCXCR4
SCHEMBL5575974 0.82 GRIN2D (0.51) CYP2D6GRIN2DGRIN3BGRIN1GRIN2A
Phenyramidol SCHEMBL21963 0.79 CYP2D6 (1.00) CYP2D6FABP1FABP6FDPSCXCR4
Phenyramidol SCHEMBL13310227 0.79 CYP2D6 (1.00) CYP2D6FABP1FABP6FDPSCXCR4
Phenyramidol SCHEMBL13310219 0.79 CYP2D6 (1.00) CYP2D6FABP1FABP6FDPSCXCR4
Phenyramidol SCHEMBL29500950 0.79 CYP2D6 (1.00) CYP2D6FABP1FABP6FDPSCXCR4
SCHEMBL1831588 0.79 CYP2D6 (0.56) CYP2D6FABP1FABP6FDPSCXCR4
SCHEMBL14198659 0.79 CYP2D6 (0.56) CYP2D6FABP1FABP6FDPSCXCR4
Phenyramidol SCHEMBL29375712 0.78 CYP2D6 (0.97) CYP2D6FABP1FABP6FDPSCXCR4
Phenyramidol SCHEMBL20769334 0.78 CYP2D6 (0.97) CYP2D6FABP1FABP6FDPSCXCR4

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CYP2D6 3964/4885GRIN2D 3183/4885GRIN3B 607/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CYP2D6 3964/4885GRIN2D 3183/4885GRIN3B 607/4885

“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.