SCHEMBL3062304

SCHEMBL3062304

Cc1c(NC[C@@H]2CCC[C@H](c3cccc(C(F)(F)F)c3)O2)ncnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.43
CCR5 P51681 2/20 0.43
PSEN1 P49768 1/20 0.37
CRHR1 P34998 2/20 0.36
AKT1 P31749 1/20 0.36
TP53 P04637 1/20 0.35
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
HTR7 P34969 1/20 0.35
VNN1 O95497 1/20 0.35
FFAR1 O14842 2/20 0.34
MDM2 Q00987 1/20 0.34
CCRL2 O00421 1/20 0.34
KCNH2 Q12809 1/20 0.34
CASP6 P55212 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10237790 1.00 CCR2 (0.43) CCR2CCR5PSEN1CRHR1AKT1
SCHEMBL2744631 0.90 TP53 (0.44) CCR2CCR5PSEN1TP53VNN1
SCHEMBL2745103 0.90 TP53 (0.44) CCR2CCR5PSEN1TP53VNN1
SCHEMBL12632856 0.89 CCR2 (0.51) CCR2CCR5PSEN1CRHR1AURKA
SCHEMBL3107687 0.89 CCR2 (0.51) CCR2CCR5PSEN1CRHR1AURKA
SCHEMBL3099877 0.89 CCR2 (0.51) CCR2CCR5PSEN1CRHR1AURKA
SCHEMBL3075218 0.88 AURKA (0.38) CCR2CCR5TP53AURKARPS6KB1
SCHEMBL3070031 0.88 AURKA (0.38) CCR2CCR5TP53AURKARPS6KB1
SCHEMBL20039940 0.88 AURKA (0.38) CCR2CCR5TP53AURKARPS6KB1
SCHEMBL3056540 0.87 CCR2 (0.40) CCR2CCR5AURKARPS6KB1

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
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
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 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 (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 5/4885PSEN1 4588/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885PSEN1 4588/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885PSEN1 4598/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885PSEN1 4588/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885PSEN1 4588/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885PSEN1 4598/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885PSEN1 4598/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885PSEN1 4588/4885

“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.