SCHEMBL114767

SCHEMBL114767

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)Cc2occ3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
P2RX7 Q99572 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TYK2 P29597 2/20 0.38
HTT P42858 2/20 0.38
JAK2 O60674 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL114193 0.83 MAPT (0.46) CDK8TRPV1MAPTLMNAKDM4E
SCHEMBL111471 0.80 LMNA (0.51) TRPV1MAPTLMNAKDM4ENPC1
SCHEMBL160071 0.79 HTT (0.60) TRPV1MAPTLMNAKDM4ETSHR
SCHEMBL3105119 0.79 TRPV1 (0.50) TRPV1KDM4ETYK2HTTJAK2
SCHEMBL159860 0.78 FLT3 (0.44) TRPV1TYK2HTTJAK2
SCHEMBL111245 0.78 TRPV1 (0.44) TRPV1MAPTLMNAKDM4ENPC1
SCHEMBL111958 0.77 TYK2 (0.45) TRPV1MAPTLMNARAB9ATYK2
SCHEMBL163614 0.77 NPC1 (0.42) TRPV1MAPTKDM4ETSHRHSD17B10
SCHEMBL159774 0.76 KMT2A (0.46) TRPV1P2RX7MAPTLMNAKDM4E
SCHEMBL111857 0.76 TRPV1 (0.47) TRPV1MAPTKDM4EHSD17B10RAB9A

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 5 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
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

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 CDK8 2410/4885TRPV1 332/4885P2RX7 49/4885

“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.