SCHEMBL3735537

SCHEMBL3735537

COc1ncc(-c2ccccc2N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR1A P08908 2/20 0.49
GLA P06280 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LDHA P00338 1/20 0.47
CXCR3 P49682 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL116261 0.86 CXCR3 (0.63) L3MBTL1CXCR3
SCHEMBL3735389 0.83 L3MBTL1 (0.45) MAPTPOLBSMN1; SMN2TSHRL3MBTL1
SCHEMBL113437 0.80 LMNA (0.52) MAPTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3724570 0.80 GAA (0.53) GAAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL3739949 0.79 CXCR3 (0.51) MAPTPOLBALDH1A1TSHRL3MBTL1
SCHEMBL161561 0.79 CXCR3 (0.48) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL115433 0.79 MAPT (0.47) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL162487 0.79 ALDH1A1 (0.57) GAAMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL113988 0.78 MAPT (0.46) MAPTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3734735 0.78 ALDH1A1 (0.64) TDP1HTR1ADRD2DRD3MAPT

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
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
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
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
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 GAA 4281/4885NPSR1 99/4885TDP1 3423/4885

“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.