SCHEMBL3075562

SCHEMBL3075562

Cc1cccc([C@H]2CCC[C@@H](CNc3ncnc(C(=O)N4CCC(N5CCC(N(C)S(C)(=O)=O)CC5)CC4)c3C)O2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
CCR5 P51681 6/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCRL2 O00421 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AXL P30530 3/20 0.32
MERTK Q12866 3/20 0.32
RAB9A P51151 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL15849359 1.00 CCR2 (0.52) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL26007572 1.00 CCR2 (0.52) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL10232499 0.96 CCR2 (0.53) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL10229943 0.96 CCR2 (0.53) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL16938568 0.96 CCR2 (0.53) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL12626911 0.94 CCR2 (0.45) CCR2CCR5CYP2D6CYP2C19NPSR1
SCHEMBL3075547 0.93 CCR2 (0.52) CCR2CCR5KCNH2CCRL2
SCHEMBL15849330 0.93 CCR2 (0.52) CCR2CCR5KCNH2CCRL2
SCHEMBL10237176 0.93 CCR2 (0.52) CCR2CCR5KCNH2CCRL2
SCHEMBL26007507 0.93 CCR2 (0.52) CCR2CCR5KCNH2CCRL2

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 5/4885CYP2D6 1790/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CYP2D6 1790/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CYP2D6 2199/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CYP2D6 1790/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CYP2D6 1790/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CYP2D6 2199/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885CYP2D6 2199/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885CYP2D6 1790/4885

“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.