SCHEMBL3466090

SCHEMBL3466090

CCC[C@H](N)c1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CHRNA7 P36544 1/20 0.39
CA2 P00918 4/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
SLC2A1 P11166 1/20 0.34
ROCK1 Q13464 1/20 0.32
RORC P51449 1/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL3466306 1.00 CCR1 (0.42) CCR1CHRNA7CA2PIK3CDPIP5K1C
SCHEMBL13358912 0.88 CA2 (0.35) CCR1CHRNA7CA2SLC2A1ROCK1
SCHEMBL3465761 0.87 CHRNA7 (0.41) CCR1CHRNA7CA2PIK3CDPIP5K1C
SCHEMBL3439421 0.87 CHRNA7 (0.41) CCR1CHRNA7CA2PIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL27845877 0.86 CHRNA7 (0.40) CCR1CHRNA7CA2PIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL568112 0.86 CHRNA7 (0.40) CCR1CHRNA7CA2PIK3CDPIP5K1C
SCHEMBL14813207 0.85 POLB (0.38) CCR1CHRNA7CA2SLC2A1ROCK1
SCHEMBL13358968 0.84 CA2 (0.33) CCR1CA2SLC2A1ROCK1
SCHEMBL13359500 0.84 CCR1 (0.34) CCR1CHRNA7CA2SLC2A1ROCK1
SCHEMBL13358934 0.81 CA2 (0.32) CCR1CHRNA7CA2SLC2A1ROCK1

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 4 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
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 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 CCR1 1/4885CHRNA7 230/4885CA2 2686/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885CHRNA7 1469/4885CA2 3968/4885

“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.