SCHEMBL415840

SCHEMBL415840

O=C(O)C1CCCc2c1c1ccccc1n2CCOCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.53
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR6 P50406 1/20 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
SCHEMBL414618 0.88 TSPO (0.52) TSPOKDM4E
SCHEMBL419006 0.88 TSPO (0.48) TSPOKDM4E
SCHEMBL416794 0.86 TSPO (0.56) TSPO
SCHEMBL417897 0.84 TSPO (0.71) TSPO
SCHEMBL11828582 0.83 HTR6 (0.60) TSPOHTR6
Diethylamine SCHEMBL417724 0.79 TSPO (0.54) TSPO
SCHEMBL419302 0.78 TSPO (0.62) TSPO
SCHEMBL416456 0.78 TSPO (0.62) TSPO
SCHEMBL416598 0.77 TSPO (0.42) TSPO
Diethylamine SCHEMBL16402929 0.77 TSPO (0.52) TSPO

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 13 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
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
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 TSPO 50/4885KDM4E 146/4885ALDH1A1 2535/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSPO 13/4885KDM4E 1277/4885ALDH1A1 2183/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT TSPO 50/4885KDM4E 146/4885ALDH1A1 2535/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 TSPO 72/4885KDM4E 782/4885ALDH1A1 2038/4885

“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.