SCHEMBL1778368

SCHEMBL1778368

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.41
MMP2 P08253 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
PRCP P42785 2/20 0.40
MMP13 P45452 1/20 0.39
PHGDH O43175 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1778369 1.00 ADAMTS5 (0.41) ADAMTS5MMP2MAPTALDH1A1GFER
SCHEMBL1779615 0.91 MAPT (0.48) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL1779616 0.91 MAPT (0.48) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL12603491 0.89 NR1H2 (0.47) ADAMTS5MMP2MAPTALDH1A1MMP13
SCHEMBL1778567 0.81 MAPT (0.48) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL1778569 0.81 MAPT (0.48) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL12603492 0.79 MAPT (0.50) MAPTALDH1A1SMN1; SMN2
SCHEMBL1780201 0.79 CCR2 (0.50) ADAMTS5MMP2PRCPMMP13
SCHEMBL1779594 0.79 CCR2 (0.50) ADAMTS5MMP2PRCPMMP13
SCHEMBL1778346 0.79 CCR2 (0.50) ADAMTS5MMP2PRCPMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
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 ADAMTS5 4753/4885MMP2 1545/4885MAPT 4777/4885

“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.