SCHEMBL4588286

SCHEMBL4588286

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
HTT P42858 5/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 2/20 0.42
PANK3 Q9H999 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR1 P32246 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
NOTUM Q6P988 1/20 0.41

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 0.88 MAPT (0.47) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL4589420 0.88 MAPT (0.47) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779177 0.87 MAPT (0.49) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL4587250 0.85 MAPT (0.52) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778569 0.81 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778567 0.81 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779615 0.81 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779616 0.81 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1778139 0.79 MAPT (0.46) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL1779331 0.79 CCR2 (0.56) 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.