SCHEMBL3746207

SCHEMBL3746207

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 3/20 0.54
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
EIF4H Q15056 1/20 0.51
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.49
F2 P00734 1/20 0.49
TSHR P16473 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL3739166 0.92 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL3732854 0.92 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL113832 0.92 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL3727965 0.89 SMN1; SMN2 (0.57) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL13039954 0.86 SMN1; SMN2 (0.47) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL115019 0.85 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL112194 0.85 SMN1; SMN2 (0.52) SMN1; SMN2POLBKMT2AEIF4HNPC1
SCHEMBL3739089 0.84 KMT2A (0.73) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL111332 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBRAB9AKMT2AGAA
SCHEMBL13077262 0.84 KMT2A (0.64) POLBRAB9AKMT2AGAADRD2

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-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
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 4646/4885POLB 2678/4885RAB9A 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.