SCHEMBL4138903

SCHEMBL4138903

Cc1nc2cnccc2n1C1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.58
CYP2D6 P10635 1/20 0.58
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 3/20 0.46
USP2 O75604 1/20 0.46
DYRK1A Q13627 1/20 0.45
RPS6KA5 O75582 1/20 0.43
FPR2 P25090 1/20 0.42

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
SCHEMBL4134368 0.86 CCR5 (0.54) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL13743001 0.84 CCR5 (0.50) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL13752047 0.83 CCR5 (0.49) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL8131968 0.83 CCR5 (0.67) CCR5CYP2D6LMNA
SCHEMBL4134072 0.80 DYRK1A (0.53) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL12799041 0.80 CCR5 (0.51) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL4126037 0.78 RPS6KA5 (0.60) CCR5CYP2D6L3MBTL1KDM4EALDH1A1
SCHEMBL7844160 0.78 CCR5 (0.48) CCR5CYP2D6LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7841863 0.77 CCR5 (0.48) CCR5CYP2D6LMNASMN1; SMN2MAPK1
SCHEMBL3064217 0.77 CCR5 (0.47) CCR5CYP2D6LMNAL3MBTL1DYRK1A

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-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 CCR5 1/4885CYP2D6 434/4885LMNA 4759/4885

“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.