SCHEMBL3465295

SCHEMBL3465295

CCS(=O)(=O)c1cc([CH]CCC(N)=O)ccn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
LMNA P02545 1/20 0.31
DYRK1A Q13627 2/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL3465986 0.87 ALDH1A1 (0.33) ALDH1A1SCN10APIK3C3CCR1
SCHEMBL3465321 0.87 DYRK1A (0.31) ALDH1A1PIK3C3DYRK1A
SCHEMBL13358874 0.86 CA12 (0.31) SCN10A
SCHEMBL4308557 0.84 CA2 (0.36)
SCHEMBL13358973 0.84 KMT2A (0.36) ALDH1A1PIK3C3LMNA
SCHEMBL13358923 0.84 HTT (0.33) PIK3C3LMNA
SCHEMBL3466341 0.82 PIK3C3 (0.34) SCN10APIK3C3LMNACCR1
SCHEMBL3466299 0.82 NFE2L2 (0.33) SCN10A
SCHEMBL27845940 0.82 NFE2L2 (0.34) SCN10ACCR1
SCHEMBL13358911 0.82 ALDH1A1 (0.33) ALDH1A1PIK3C3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885SCN10A 4175/4885PIK3C3 889/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ALDH1A1 268/4885SCN10A 4709/4885PIK3C3 741/4885

“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.