SCHEMBL108756

SCHEMBL108756

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc(N4CCOCC4)nc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
RAB9A P51151 3/20 0.54
CXCR3 P49682 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPT P10636 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DGAT1 O75907 7/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PPARG P37231 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
HTT P42858 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL111164 0.88 CXCR3 (0.59) CYP1A2CXCR3KCNH2MAPTCYP2C19
SCHEMBL114797 0.87 CXCR3 (0.57) CYP1A2CXCR3KCNH2MAPTCYP2C19
SCHEMBL13075874 0.86 CXCR3 (0.56) CYP1A2CXCR3KCNH2L3MBTL1LMNA
SCHEMBL112603 0.86 CXCR3 (0.56) RAB9ACXCR3KCNH2MAPTCYP2C19
SCHEMBL111873 0.86 CXCR3 (0.56) CYP1A2CXCR3KCNH2MAPTCYP2C19
SCHEMBL109996 0.85 CXCR3 (0.55) CYP1A2RAB9ACXCR3KCNH2L3MBTL1
SCHEMBL111946 0.85 CXCR3 (0.54) RAB9ACXCR3KCNH2MAPTL3MBTL1
SCHEMBL111491 0.85 CXCR3 (0.61) CXCR3KCNH2MAPTL3MBTL1SMN1; SMN2
SCHEMBL111162 0.84 CXCR3 (0.54) CYP1A2CXCR3KCNH2MAPTL3MBTL1
SCHEMBL112638 0.84 CXCR3 (0.54) CYP1A2CXCR3KCNH2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (1 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CYP1A2 2132/4885RAB9A 1421/4885CXCR3 1/4885

“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.