SCHEMBL162486

SCHEMBL162486

Cn1cccc1C(=O)NCC(=O)N1CCN(c2ccccc2C(=O)Nc2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
GFER P55789 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
TYK2 P29597 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
F2 P00734 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EIF4H Q15056 1/20 0.38

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
SCHEMBL162993 0.90 TRPV1 (0.44) RAB9AKMT2ATRPV1KDM4ESMN1; SMN2
SCHEMBL112845 0.86 RAB9A (0.42) RAB9AKMT2AGFERTRPV1TYK2
SCHEMBL159855 0.85 TRPV1 (0.40) TRPV1TYK2KDM4ESMN1; SMN2HTT
SCHEMBL114090 0.81 KMT2A (0.56) RAB9AKMT2AKDM4EPOLBGAA
SCHEMBL111857 0.80 TRPV1 (0.47) RAB9AKMT2ATRPV1TYK2KDM4E
SCHEMBL111789 0.79 KDM4E (0.51) RAB9AKDM4ESMN1; SMN2POLBADRA1A
SCHEMBL3105119 0.79 TRPV1 (0.50) KMT2ATRPV1TYK2KDM4ESMN1; SMN2
SCHEMBL112923 0.79 SMN1; SMN2 (0.56) KMT2AKDM4ESMN1; SMN2POLBGAA
SCHEMBL13039593 0.77 RAB9A (0.52) RAB9AKMT2AGFERKDM4EPOLB
SCHEMBL110554 0.77 NAMPT (0.47) RAB9AKMT2ATRPV1KDM4ESMN1; SMN2

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 RAB9A 1421/4885KMT2A 3794/4885GFER 2844/4885

“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.