SCHEMBL3729673

SCHEMBL3729673

O=C(Cn1ccc2cccnc21)N1CCN(c2ccccc2-c2ccnc(N3CCOCC3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.48
SMO Q99835 1/20 0.46
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
GRIN2B Q13224 2/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 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
SCHEMBL113234 0.86 CXCR3 (0.49) CXCR3SMN1; SMN2KDM4EALDH1A1RECQL
SCHEMBL3739598 0.84 CXCR3 (0.58) CXCR3HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL3730975 0.84 CXCR3 (0.47) CXCR3SMN1; SMN2KDM4EALDH1A1RECQL
SCHEMBL114646 0.83 CXCR3 (0.51) CXCR3SMN1; SMN2ALDH1A1KCNH2
SCHEMBL161972 0.81 CXCR3 (0.53) CXCR3HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL13077408 0.80 CXCR3 (0.52) CXCR3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13077261 0.79 CXCR3 (0.51) CXCR3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL166378 0.79 CXCR3 (0.51) CXCR3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3728663 0.79 GRIN2B (0.45) CXCR3GRIN2B
SCHEMBL3739568 0.79 CXCR3 (0.54) CXCR3HSD17B10SMN1; SMN2ALDH1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885SMO 2376/4885HSD17B10 2622/4885

“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.