SCHEMBL3050100

SCHEMBL3050100

Cc1ccc([C@H]2CCC[C@@H](CNc3ncnc(C(=O)N4CCC(N5CCC(N(C)S(C)(=O)=O)CC5)CC4)c3C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
CCR5 P51681 6/20 0.41
CCRL2 O00421 1/20 0.34
KCNH2 Q12809 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MERTK Q12866 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BTK Q06187 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
NSD2 O96028 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
SETD2 Q9BYW2 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
SCHEMBL15849339 1.00 CCR2 (0.52) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL26007410 1.00 CCR2 (0.52) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL10232167 0.96 CCR2 (0.53) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL10232546 0.96 CCR2 (0.53) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL10232544 0.96 CCR2 (0.53) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL15849360 0.94 CCR2 (0.54) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL3110512 0.94 CCR2 (0.54) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL10237808 0.94 CCR2 (0.51) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL3055299 0.94 CCR2 (0.54) CCR2CCR5CCRL2KCNH2L3MBTL3
SCHEMBL26007434 0.94 CCR2 (0.54) 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 14 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-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.