SCHEMBL412859

SCHEMBL412859

CC1CC=C(N2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
USP2 O75604 3/20 0.38
NOD2 Q9HC29 1/20 0.37
KDM4E B2RXH2 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL8401943 0.84 TSHR (0.37) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL3322492 0.83 HTT (0.33) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10588333 0.81 MAPT (0.38) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL11456012 0.81 CHRM3 (0.35) MAPTLMNAMEN1KMT2AHTT
SCHEMBL14824638 0.80 KMT2A (0.38) MAPTMEN1KMT2AHTTUSP2
SCHEMBL12780188 0.78 HTT (0.41) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL295938 0.78 LMNA (0.35) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL12764987 0.78 PIK3R1 (0.37) MAPTLMNAMEN1KMT2AHTT
SCHEMBL5684441 0.76 PIK3CD (0.37) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL30990235 0.75 LMNA (0.35) TSHRMAPTLMNAMEN1KMT2A

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 14 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
EP-0327492-A1 Herbicidally and plantgrowth regulatory active quinoline and pyrindine compounds CIBA-GEIGY AG (CH) 1989-08-09 EP 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 TSHR 2384/4885MAPT 2852/4885LMNA 2612/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSHR 2312/4885MAPT 4632/4885LMNA 3416/4885
US-20140364615-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT TSHR 2384/4885MAPT 2852/4885LMNA 2612/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 TSHR 1192/4885MAPT 1078/4885LMNA 2390/4885

“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.