SCHEMBL112559

SCHEMBL112559

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 1.00
KCNH2 Q12809 1/20 1.00
ALDH1A1 P00352 3/20 0.51
DPP4 P27487 1/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3732650 0.98 CXCR3 (0.96) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3732867 0.94 CXCR3 (0.88) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3735739 0.94 CXCR3 (0.88) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3730735 0.94 CXCR3 (0.88) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3735454 0.93 CXCR3 (0.86) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3740353 0.92 CXCR3 (0.85) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3730784 0.92 CXCR3 (0.85) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3726591 0.92 CXCR3 (0.84) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3740276 0.92 CXCR3 (0.84) CXCR3KCNH2ALDH1A1DPP4LMNA
SCHEMBL3742966 0.92 CXCR3 (0.84) CXCR3KCNH2ALDH1A1DPP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11359011-B2 Treatment and prevention of cardiovascular disease Edifice Health, Inc. (US) 2022-06-14 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-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 (4 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885ALDH1A1 1298/4885
US-20210315921-A1 Compounds and Methods for Modifying iAge LIPG, IFNG, CD40LG CXCR3 244/4885KCNH2 2867/4885ALDH1A1 700/4885
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885KCNH2 3076/4885ALDH1A1 2390/4885
US-11359011-B2 Treatment and prevention of cardiovascular disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885KCNH2 3076/4885ALDH1A1 2390/4885

“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.