SCHEMBL160071

SCHEMBL160071

Cn1cc(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 6/20 0.57
LMNA P02545 5/20 0.57
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.52
PTPN5 P54829 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
TYK2 P29597 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 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
SCHEMBL114193 0.81 MAPT (0.46) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL112720 0.80 TRPV1 (0.42) HTTALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL114767 0.79 CDK8 (0.44) HTTALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL3105119 0.78 TRPV1 (0.50) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL111245 0.77 TRPV1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL159860 0.77 FLT3 (0.44) HTTKMT2ATRPV1TYK2
SCHEMBL159640 0.77 TYK2 (0.43) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL111471 0.77 LMNA (0.51) ALDH1A1SMN1; SMN2MAPTLMNATRPV1
SCHEMBL162320 0.77 CXCR3 (0.51) HTTALDH1A1SMN1; SMN2LMNATRPV1
SCHEMBL111958 0.77 TYK2 (0.45) HTTALDH1A1MEN1KMT2ASMN1; 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 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 HTT 4213/4885ALDH1A1 1720/4885MEN1 3298/4885

“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.