SCHEMBL3739166

SCHEMBL3739166

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 3/20 0.52
GAA P10253 1/20 0.52
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
EIF4H Q15056 1/20 0.49
KCNH2 Q12809 2/20 0.49
CXCR3 P49682 1/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.48
P2RY12 Q9H244 1/20 0.48
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL3746207 0.92 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL3732854 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL113832 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL13039954 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL3739089 0.82 KMT2A (0.73) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL13077262 0.82 KMT2A (0.64) KMT2ARAB9APOLBGAAHTR1A
SCHEMBL3727965 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL3728981 0.80 KDM4E (0.55) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL13039610 0.80 POLB (0.76) SMN1; SMN2KMT2ARAB9APOLBGAA
SCHEMBL13039486 0.80 POLB (0.67) SMN1; SMN2KMT2ARAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 4646/4885KMT2A 4032/4885RAB9A 1661/4885

“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.