SCHEMBL115019

SCHEMBL115019

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccc(C#N)nc3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 3/20 0.46
THRB P10828 2/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
PREP P48147 1/20 0.44
EIF4H Q15056 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F2 P00734 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
SCHEMBL3727965 0.88 SMN1; SMN2 (0.57) SMN1; SMN2POLBTHRBNPC1GAA
SCHEMBL3746207 0.85 SMN1; SMN2 (0.64) SMN1; SMN2POLBTHRBNPC1GAA
SCHEMBL112194 0.83 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPC1EIF4HKMT2A
SCHEMBL15925557 0.81 POLB (0.52) SMN1; SMN2POLBNPC1GAAEIF4H
SCHEMBL3739166 0.79 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPC1GAAEIF4H
SCHEMBL113832 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBGAADRD2DRD4
SCHEMBL3732854 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPC1GAADRD2
SCHEMBL13076706 0.76 POLB (0.51) POLBGAADRD2DRD3EIF4H
SCHEMBL114927 0.75 CHEK1 (0.40) SMN1; SMN2DRD2
SCHEMBL111332 0.74 SMN1; SMN2 (0.60) SMN1; SMN2POLBNPC1GAADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 SMN1; SMN2 4646/4885POLB 2678/4885THRB 1510/4885

“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.