SCHEMBL2745455

SCHEMBL2745455

O=C1c2ccccc2C(=O)N1C[C@H]1CCC[C@@H](c2ccc(OC(F)(F)F)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PSEN1 P49768 1/20 0.43
SCN9A Q15858 4/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR174 Q9BXC1 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL2745414 0.85 CYP2C9 (0.51) CYP1A2CYP2C9CYP2C19PSEN1ALDH1A1
SCHEMBL2745254 0.84 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2744965 0.83 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2745478 0.83 CYP2C9 (0.48) CYP1A2CYP2C9CYP2C19PSEN1ALDH1A1
SCHEMBL2691186 0.78 SLC6A2 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL2745324 0.77 CYP2C9 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2745321 0.77 CYP2C9 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2745262 0.77 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19PSEN1ALDH1A1
SCHEMBL20040059 0.77 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19PSEN1ALDH1A1
SCHEMBL12633751 0.77 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19PSEN1ALDH1A1

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 38 patents — showing the first 20. 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-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-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
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
WO-2012171863-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 WO disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
WO-2011151251-A1 NEW CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 WO disclosed
WO-2011147772-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 WO disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO 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 (9 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 CYP1A2 755/4885CYP2C9 1982/4885CYP2C19 1913/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885CYP2C9 1982/4885CYP2C19 1913/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CYP1A2 1045/4885CYP2C9 2290/4885CYP2C19 2239/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885CYP2C9 1982/4885CYP2C19 1913/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885CYP2C9 1982/4885CYP2C19 1913/4885
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF CCR2, CCR1, CCRL2 CYP1A2 605/4885CYP2C9 1891/4885CYP2C19 1520/4885
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CYP1A2 1303/4885CYP2C9 2597/4885CYP2C19 2639/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CYP1A2 1045/4885CYP2C9 2290/4885CYP2C19 2239/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CYP1A2 755/4885CYP2C9 1982/4885CYP2C19 1913/4885

“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.