SCHEMBL2222976

SCHEMBL2222976

O=C(Nc1cc(Cl)cnc1N1CCC(CCNc2cccnc2)CC1)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 1.00
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CSF1R P07333 1/20 0.47
ACHE P22303 1/20 0.45
GSK3B P49841 1/20 0.45
BRAF P15056 1/20 0.43
GRM5 P41594 4/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC2A1 P11166 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
KCNMA1 Q12791 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL16448959 0.93 CXCR3 (0.87) CXCR3KMT2ACSF1RACHEGSK3B
SCHEMBL2223650 0.92 CXCR3 (0.85) CXCR3MEN1KMT2AACHEGSK3B
SCHEMBL2267961 0.90 CXCR3 (0.82) CXCR3MEN1KMT2ACSF1RACHE
SCHEMBL2221638 0.88 CXCR3 (0.78) CXCR3MEN1KMT2ACSF1RBRAF
SCHEMBL2267498 0.84 CXCR3 (0.72) CXCR3MEN1KMT2AACHEGSK3B
SCHEMBL12515722 0.84 CXCR3 (0.72) CXCR3MEN1KMT2AKCNMA1
SCHEMBL14669316 0.83 CXCR3 (0.71) CXCR3MEN1KMT2AACHEGSK3B
SCHEMBL2269016 0.83 CXCR3 (0.70) CXCR3MEN1KMT2AKCNMA1
SCHEMBL2267308 0.82 CXCR3 (0.70) CXCR3MEN1KMT2A
SCHEMBL2268257 0.82 CXCR3 (0.70) CXCR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-11359011-B2 Treatment and prevention of cardiovascular disease Edifice Health, Inc. (US) 2022-06-14 US disclosed
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-12-09 US disclosed
US-20210315921-A1 Compounds and Methods for Modifying iAge Edifice Health, Inc. (US) 2021-10-14 US disclosed
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-02-11 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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 (5 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-20210380672-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885MEN1 4411/4885KMT2A 2985/4885
US-20210315921-A1 Compounds and Methods for Modifying iAge LIPG, IFNG, CD40LG CXCR3 244/4885MEN1 2751/4885KMT2A 1498/4885
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885MEN1 4411/4885KMT2A 2985/4885
US-11359011-B2 Treatment and prevention of cardiovascular disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885MEN1 4411/4885KMT2A 2985/4885
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885MEN1 3640/4885KMT2A 3936/4885

“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.