SCHEMBL584301

SCHEMBL584301

COC(=O)c1cc(N)cc(C(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ATAD2 Q6PL18 1/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
XDH P47989 2/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL23471194 0.91 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL583560 0.87 ALDH1A1 (0.43) KDM4EGAALMNAMAPTALDH1A1
SCHEMBL111187 0.87 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6975620 0.86 ATAD2 (0.46) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL111186 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14577653 0.84 SLC7A5 (0.49) CA12CA1CA2CA7CA9
SCHEMBL24041391 0.82 ALDH1A1 (0.43) KDM4EGAALMNAMAPTALDH1A1
SCHEMBL654773 0.82 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3488840 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3554201 0.82 CA1 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
EP-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 US disclosed
WO-1999043672-A9 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INST (US) 2000-05-04 WO 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-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CA12 3804/4885CA1 2103/4885CA2 923/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 CA12 2443/4885CA1 1241/4885CA2 431/4885

“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.