SCHEMBL3075473

SCHEMBL3075473

Cc1c(NC[C@@H]2CCC[C@H](c3ccc(C(F)(F)F)cc3)O2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
CCR5 P51681 6/20 0.49
CCRL2 O00421 6/20 0.40
PSEN1 P49768 2/20 0.34
CACNA1B Q00975 1/20 0.32
SLC6A9 P48067 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A5 Q9Y345 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
SCHEMBL12632871 1.00 CCR2 (0.54) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL26007597 1.00 CCR2 (0.54) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL13345908 0.96 CCR2 (0.55) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL10229957 0.96 CCR2 (0.55) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL10232163 0.96 CCR2 (0.55) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL10230532 0.96 CCR2 (0.55) CCR2CCR5CCRL2PSEN1CACNA1B
SCHEMBL3078165 0.95 CCR2 (0.51) CCR2CCR5CCRL2CACNA1BKCNH2
SCHEMBL10237808 0.93 CCR2 (0.51) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL3050100 0.93 CCR2 (0.52) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL15849339 0.93 CCR2 (0.52) CCR2CCR5CCRL2KCNH2L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 US disclosed
US-10196402-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
EP-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed
EP-3091012-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Centrexion Therapeutics Corporation (US) 2016-11-09 EP disclosed
EP-2813503-B1 A process for the production of new CCR2 receptor antagonists and intermediates thereof CT XION THERAPEUTICS CORP (US) 2016-04-20 EP disclosed
EP-2813503-A1 A process for the production of new CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-17 EP disclosed
EP-2513093-B1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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 (8 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CCRL2 2/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CCRL2 2/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CCRL2 2/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CCRL2 2/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CCRL2 2/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CCRL2 2/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CCRL2 2/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CCRL2 2/4885

“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.