SCHEMBL412877

SCHEMBL412877

CCN(CC)OC(=O)C1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.41
CYP2D6 P10635 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
TLR4 O00206 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL276016 0.78 TLR4 (0.51) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL2470785 0.78 TLR4 (0.51) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL28368812 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL3656801 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL7697030 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL7733726 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL929873 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL10792572 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL7392059 0.77 TLR4 (0.50) MAPK1MCL1CYP2D6KDM4EHSD17B10
SCHEMBL20303983 0.75 MAPK1 (0.54) MAPK1MCL1CYP2D6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 EP disclosed
US-9314541-B2 In vivo imaging method for cancer GE HEALTHCARE LIMITED (GB) 2016-04-19 US disclosed
US-9220795-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2015-12-29 US disclosed
US-9168317-B2 In vivo imaging method of mood disorders GE HEALTHCARE LIMITED (GB) 2015-10-27 US disclosed
US-20140364615-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2014-12-11 US disclosed
US-8790619-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2014-07-29 US disclosed
EP-2621544-A1 IN VIVO IMAGING METHOD FOR CANCER GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
EP-2618850-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2013-07-18 US disclosed
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2013-07-11 US disclosed
WO-2012041953-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed
WO-2012038532-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
EP-2411362-A2 INDOLE DERIVATIVES GE Healthcare UK Limited (GB) 2012-02-01 EP disclosed
US-20120020884-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-26 US disclosed
WO-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 WO 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 (4 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-20120020884-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT MAPK1 4786/4885MCL1 1004/4885CYP2D6 1258/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 MAPK1 4123/4885MCL1 124/4885CYP2D6 2778/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT MAPK1 4786/4885MCL1 1004/4885CYP2D6 1258/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 MAPK1 4431/4885MCL1 1805/4885CYP2D6 1945/4885

“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.