SCHEMBL3465836

SCHEMBL3465836

CS(=O)(=O)c1cc([C@@H](N)CCN)ccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.34
CYP3A4 P08684 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
ADRB3 P13945 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
ROCK1 Q13464 2/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL3465541 0.89 CCR1 (0.39) CCR1CYP3A4HRH4ROCK1CA2
SCHEMBL3465451 0.89 CCR1 (0.39) CCR1CYP3A4HRH4ROCK1CA2
SCHEMBL3465322 0.89 CCR1 (0.39) CCR1CYP3A4HRH4ROCK1CA2
SCHEMBL3465203 0.88 CCR1 (0.35) CCR1CYP3A4ADRB3HRH4
SCHEMBL3439409 0.86 CCR1 (0.38) CCR1CYP3A4LOXL2ADRB3HRH4
SCHEMBL3465973 0.86 CCR1 (0.38) CCR1CYP3A4LOXL2ADRB3HRH4
SCHEMBL3466040 0.85 LMNA (0.35) CCR1CYP3A4ADRB3ROCK1
Hydrochloric Acid SCHEMBL567868 0.84 CCR1 (0.37) CCR1CYP3A4LOXL2HRH4ROCK1
Hydrochloric Acid SCHEMBL27827247 0.84 CCR1 (0.37) CCR1CYP3A4LOXL2HRH4ROCK1
SCHEMBL3465668 0.84 CCR1 (0.35) CCR1CYP3A4ADRB3HRH4

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 1/4885CYP3A4 2075/4885LOXL2 3029/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885CYP3A4 1429/4885LOXL2 1706/4885

“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.