SCHEMBL5575974

SCHEMBL5575974

N[C@@H](CNc1ncccn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
BCDIN3D Q7Z5W3 9/20 0.46
GBA1 P04062 1/20 0.45
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SCN4A P35499 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
SCHEMBL2874311 0.82 ALDH1A1 (0.48) GRIN1GRIN2ACYP2D6ALDH1A1HPGD
SCHEMBL3758388 0.82 CYP2D6 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fenyripol SCHEMBL828783 0.78 CYP2D6 (0.70) CYP2D6HPGD
Fenyripol SCHEMBL120829 0.76 CYP2D6 (0.68) CYP2D6HPGD
SCHEMBL18539226 0.76 GBA1 (0.50) GBA1ALDH1A1SCN4A
SCHEMBL16649251 0.74 BCDIN3D (0.42) BCDIN3DCYP2D6
SCHEMBL5730870 0.72 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL18040189 0.71 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15208762 0.70 GRIN3B (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15208765 0.70 GRIN3B (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 GRIN2D 3476/4885GRIN3B 580/4885GRIN1 1675/4885

“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.