SCHEMBL162320

SCHEMBL162320

Cn1c(=O)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.49
TRPV1 Q8NER1 1/20 0.42
TYK2 P29597 1/20 0.41

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
SCHEMBL3101690 0.80 HSD17B10 (0.55) LMNAHTTSMN1; SMN2ALDH1A1TRPV1
SCHEMBL113050 0.79 TRPV1 (0.44) LMNAHTTSMN1; SMN2ALDH1A1TRPV1
SCHEMBL3105119 0.79 TRPV1 (0.50) HTTSMN1; SMN2ALDH1A1TRPV1TYK2
SCHEMBL110281 0.79 ALDH1A1 (0.44) LMNAHTTSMN1; SMN2ALDH1A1TYK2
SCHEMBL111886 0.78 ADRA1D (0.44) HTTSMN1; SMN2TRPV1TYK2
SCHEMBL160071 0.77 HTT (0.60) LMNAHTTSMN1; SMN2ALDH1A1TRPV1
SCHEMBL111833 0.77 CXCR3 (0.61) CXCR3LMNASMN1; SMN2ALDH1A1TRPV1
SCHEMBL158033 0.76 POLB (0.58) HTTTP53SMN1; SMN2ALDH1A1
SCHEMBL111857 0.76 TRPV1 (0.47) HTTSMN1; SMN2ALDH1A1TRPV1TYK2
SCHEMBL3105176 0.76 RAB9A (0.43) LMNAHTTSMN1; SMN2ALDH1A1TRPV1

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 CXCR3 1/4885LMNA 3677/4885HTT 4213/4885

“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.