SCHEMBL163365

SCHEMBL163365

O=C(NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1)c1ccc2ccncc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
P2RY12 Q9H244 1/20 0.49
EIF4H Q15056 1/20 0.48
SMYD2 Q9NRG4 1/20 0.46
KCNH2 Q12809 2/20 0.46
CXCR3 P49682 1/20 0.46
NAMPT P43490 1/20 0.46
P2RX7 Q99572 2/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
PRMT3 O60678 4/20 0.43

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
SCHEMBL163937 0.96 POLB (0.61) POLBGAAKMT2ARAB9AP2RY12
SCHEMBL15911487 0.85 GAA (0.44) POLBGAAKCNH2CXCR3P2RX7
SCHEMBL3734714 0.84 KMT2A (0.54) POLBGAAKMT2ARAB9AEIF4H
SCHEMBL15911462 0.82 PRMT3 (0.46) POLBGAAKMT2ARAB9AKCNH2
SCHEMBL3739089 0.82 KMT2A (0.73) POLBGAAKMT2ARAB9AEIF4H
SCHEMBL13077262 0.81 KMT2A (0.64) POLBGAAKMT2ARAB9AP2RY12
SCHEMBL13039486 0.79 POLB (0.67) POLBGAAKMT2ARAB9AEIF4H
SCHEMBL13039610 0.79 POLB (0.76) POLBGAAKMT2ARAB9AEIF4H
SCHEMBL3746207 0.78 SMN1; SMN2 (0.64) POLBGAAKMT2ARAB9AEIF4H
SCHEMBL3739166 0.77 SMN1; SMN2 (0.53) POLBGAAKMT2ARAB9AP2RY12

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-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
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
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP 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

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 POLB 2678/4885GAA 4281/4885KMT2A 4032/4885

“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.