SCHEMBL109937

SCHEMBL109937

CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)Nc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.66
BACE1 P56817 5/20 0.57
NAMPT P43490 1/20 0.55
RBP4 P02753 1/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR119 Q8TDV5 1/20 0.51
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL21360304 0.86 BACE1 (0.54) PTPN11BACE1NAMPTMAPTMEN1
SCHEMBL2327346 0.84 GPR119 (0.51) PTPN11BACE1NAMPTMAPTSMN1; SMN2
SCHEMBL110679 0.84 GPR119 (0.54) PTPN11BACE1NAMPTRBP4MAPT
SCHEMBL7352143 0.82 KMT2A (0.52) PTPN11BACE1NAMPTMAPTKMT2A
SCHEMBL5081454 0.82 NAMPT (0.65) PTPN11NAMPTMAPTMEN1TSHR
SCHEMBL21157517 0.81 BACE1 (0.50) PTPN11BACE1MEN1KMT2ASMN1; SMN2
SCHEMBL26054717 0.81 GPR119 (0.50) PTPN11BACE1NAMPTMAPTSMN1; SMN2
SCHEMBL6159637 0.81 NPC1 (0.57) PTPN11BACE1NAMPTMAPTSMN1; SMN2
SCHEMBL3599162 0.80 MAPT (0.68) PTPN11NAMPTRBP4MAPTMEN1
SCHEMBL28244983 0.80 ESRRB (0.51) PTPN11BACE1NAMPTMAPTSMN1; 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 PTPN11 789/4885BACE1 4207/4885NAMPT 1460/4885

“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.