SCHEMBL4589420

SCHEMBL4589420

CCC[C@@H](C)N1CCN(C(=O)O)[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
HTT P42858 5/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.43
PANK3 Q9H999 1/20 0.43
CCR1 P32246 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
GFER P55789 1/20 0.39
NOTUM Q6P988 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
SCHEMBL4589422 1.00 MAPT (0.47) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL4588286 0.88 MAPT (0.49) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL12603486 0.87 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1777904 0.87 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL4587250 0.83 MAPT (0.52) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778569 0.80 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778050 0.80 CCR2 (0.56) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778567 0.80 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779615 0.79 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779616 0.79 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A

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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 MAPT 4777/4885HTT 4706/4885MAPK1 1804/4885

“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.