SCHEMBL114193

SCHEMBL114193

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)Cc2coc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.41
MAOB P27338 4/20 0.40
ADORA2B P29275 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK8 P49336 1/20 0.40
HIF1A Q16665 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL114767 0.83 CDK8 (0.44) MAPTKDM4ELMNATSHRHSD17B10
SCHEMBL111471 0.83 LMNA (0.51) MAPTKDM4ELMNATRPV1TP53
SCHEMBL160071 0.81 HTT (0.60) MAPTKDM4ELMNATSHRTRPV1
SCHEMBL3105119 0.79 TRPV1 (0.50) KDM4ETRPV1MEN1ALDH1A1KMT2A
SCHEMBL159860 0.78 FLT3 (0.44) TRPV1KMT2AHTT
SCHEMBL111245 0.78 TRPV1 (0.44) MAPTKDM4ELMNATRPV1MEN1
SCHEMBL111958 0.77 TYK2 (0.45) MAPTLMNATRPV1TP53MEN1
SCHEMBL111857 0.76 TRPV1 (0.47) MAPTKDM4EHSD17B10TRPV1ALDH1A1
SCHEMBL163614 0.75 NPC1 (0.42) MAPTKDM4ETSHRHSD17B10TRPV1
SCHEMBL112720 0.75 TRPV1 (0.42) MAPTLMNATRPV1ALDH1A1KMT2A

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 MAPT 4772/4885KDM4E 3738/4885LMNA 3677/4885

“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.