SCHEMBL112788

SCHEMBL112788

COc1cc(NC(=O)c2ccccc2N2CCN(C(=O)CN(C)C(=O)c3ncoc3C)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.39
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
P2RY12 Q9H244 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SORT1 Q99523 1/20 0.35
GRM1 Q13255 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15673586 0.89 SCN10A (0.37) SCN10AHSD17B10MAPTRAB9AGAA
SCHEMBL165417 0.80 SCN10A (0.36) SCN10AMAPTSORT1GRM1CHRM1
SCHEMBL161052 0.80 SCN10A (0.36) SCN10AMAPTSORT1GRM1CHRM1
SCHEMBL3111763 0.79 SCN10A (0.44) SCN10AHSD17B10MAPTRAB9AGAA
SCHEMBL3111775 0.79 SCN10A (0.44) SCN10AHSD17B10MAPTRAB9AGAA
SCHEMBL3111753 0.78 SCN10A (0.42) SCN10AHSD17B10MAPTRAB9AGAA
SCHEMBL111473 0.76 CXCR3 (0.54) SCN10AHSD17B10MAPTRAB9AGAA
SCHEMBL111334 0.74 ADRA1D (0.43) SCN10ARAB9AGAAL3MBTL1SORT1
SCHEMBL160558 0.74 RAB9A (0.42) SCN10AHSD17B10MAPTRAB9AALDH1A1
SCHEMBL111940 0.74 KMT2A (0.51) HSD17B10MAPTRAB9AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
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
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
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 SCN10A 1129/4885HSD17B10 3423/4885MAPT 4772/4885

“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.