SCHEMBL110554

SCHEMBL110554

Cc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3C(=O)Nc3cccnc3)CC2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.47
TRPV1 Q8NER1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B2 P19099 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
SCHEMBL112845 0.91 RAB9A (0.42) TRPV1ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL111064 0.90 NAMPT (0.44) NAMPTTRPV1HSD17B10LRRK2ALDH1A1
SCHEMBL159993 0.87 NAMPT (0.46) NAMPTTRPV1HSD17B10LRRK2ALDH1A1
SCHEMBL162993 0.87 TRPV1 (0.44) NAMPTTRPV1HSD17B10LRRK2ALDH1A1
SCHEMBL110852 0.83 KMT2A (0.59) NAMPTTRPV1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL110415 0.81 CXCR3 (0.58) NAMPTTRPV1HSD17B10LRRK2ALDH1A1
SCHEMBL13076824 0.80 NAMPT (0.52) NAMPTTRPV1HSD17B10LRRK2ALDH1A1
SCHEMBL111134 0.80 SIGLEC9 (0.49) NAMPTTRPV1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL113246 0.80 GAA (0.52) LRRK2SMN1; SMN2RAB9AKDM4ETSHR
SCHEMBL111553 0.80 PKM (0.58) LRRK2ALDH1A1KMT2ARAB9AKDM4E

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 6 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
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
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 NAMPT 1460/4885TRPV1 332/4885HSD17B10 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.