SCHEMBL415897

SCHEMBL415897

O=C1CCCCC1C(=O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL1617404 0.98 MCL1 (0.47) HPGDMCL1L3MBTL1ALDH1A1TSHR
SCHEMBL1616946 0.84 L3MBTL1 (0.42) MCL1L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL24512727 0.81 MCL1 (0.42) HPGDMCL1L3MBTL1ALDH1A1TSHR
SCHEMBL31571089 0.79 CHRNB2 (0.52) MCL1L3MBTL1TSHRKMT2A
SCHEMBL3715257 0.78 MCL1 (0.33) HPGDMCL1L3MBTL1MAPK1PREP
SCHEMBL3715254 0.78 MCL1 (0.33) HPGDMCL1L3MBTL1MAPK1PREP
SCHEMBL7353241 0.74 MCL1 (0.58) MCL1L3MBTL1MAPK1KMT2AHTT
SCHEMBL8081259 0.74 MCL1 (0.58) MCL1L3MBTL1MAPK1KMT2AHTT
SCHEMBL21477523 0.72 MCL1 (0.52) MCL1MAPK1KMT2AHTT
SCHEMBL10967147 0.72 MCL1 (0.56) MCL1L3MBTL1MAPK1SMN1; SMN2KMT2A

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-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
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
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 HPGD 2353/4885MCL1 1004/4885L3MBTL1 4359/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 HPGD 308/4885MCL1 124/4885L3MBTL1 2231/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT HPGD 2353/4885MCL1 1004/4885L3MBTL1 4359/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 HPGD 239/4885MCL1 1805/4885L3MBTL1 3485/4885

“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.