SCHEMBL162993

SCHEMBL162993

Cn1cccc1C(=O)NCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB3 P13945 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HPGDS O60760 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL162486 0.90 RAB9A (0.44) TRPV1HSD17B10KMT2AKDM4ERAB9A
SCHEMBL110554 0.87 NAMPT (0.47) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL110852 0.85 KMT2A (0.59) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL111064 0.84 NAMPT (0.44) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL159993 0.83 NAMPT (0.46) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL13076824 0.82 NAMPT (0.52) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL111553 0.82 PKM (0.58) ALDH1A1KMT2AKDM4ERAB9ALRRK2
SCHEMBL111134 0.80 SIGLEC9 (0.49) TRPV1HSD17B10NAMPTALDH1A1KMT2A
SCHEMBL111089 0.80 POLB (0.63) HSD17B10ALDH1A1HPGDKDM4ERAB9A
SCHEMBL3104629 0.80 TRPV1 (0.53) TRPV1HSD17B10NAMPTALDH1A1KMT2A

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 7 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
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 TRPV1 332/4885HSD17B10 3423/4885NAMPT 1460/4885

“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.