SCHEMBL13039596

SCHEMBL13039596

Cc1ccn(CC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.68
KCNH2 Q12809 1/20 0.68
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL112559 0.81 CXCR3 (1.00) CXCR3KCNH2MAPTALDH1A1DPP4
SCHEMBL3732650 0.79 CXCR3 (0.96) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL163756 0.76 CXCR3 (0.64) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL3735517 0.76 ALDH1A1 (0.64) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL3732864 0.76 KMT2A (0.71) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL3732867 0.75 CXCR3 (0.88) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL3732700 0.75 CXCR3 (0.58) CXCR3KCNH2MAPTALDH1A1DPP4
SCHEMBL3730735 0.75 CXCR3 (0.88) CXCR3KCNH2MAPTALDH1A1KDM4E
SCHEMBL3734861 0.75 CXCR3 (0.80) CXCR3KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL3735739 0.75 CXCR3 (0.88) CXCR3KCNH2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-12-09 US disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US 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
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 (2 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 1561/4885MAPT 4724/4885
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885KCNH2 3076/4885MAPT 4218/4885

“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.