SCHEMBL416578

SCHEMBL416578

COc1ccc(Cl)c2c1c1c(n2CCOCc2ccccc2)CCCC1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.42
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TEAD3 Q99594 2/20 0.35
TACR1 P25103 1/20 0.34
PDE4A P27815 1/20 0.34
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL416598 0.94 TSPO (0.42) TSPOHCRTR1HCRTR2TEAD3TACR1
SCHEMBL420135 0.90 TSPO (0.41) TSPO
SCHEMBL460215 0.89 TSPO (0.56) TSPO
SCHEMBL28254010 0.85 HTR6 (0.38) TSPOHCRTR1HCRTR2TEAD3
SCHEMBL28412710 0.83 HTR6 (0.41) TSPO
SCHEMBL6693579 0.82 FABP4 (0.44) TSPOHCRTR1HCRTR2
SCHEMBL12748229 0.82 TSPO (0.44) TSPO
SCHEMBL12748236 0.82 TSPO (0.44) TSPO
SCHEMBL12748241 0.82 TSPO (0.44) TSPO
SCHEMBL22210606 0.81 LTA4H (0.33) TSPOHCRTR1HCRTR2TEAD3TACR1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709798-B2 Crystallization process of tricyclic indole derivatives GE HEALTHCARE LIMITED (GB) 2020-07-14 US disclosed
US-10709798-B2 Crystallization process of tricyclic indole derivatives GE HEALTHCARE LIMITED (GB) 2020-07-14 US disclosed
EP-3022178-B1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LTD (GB) 2018-12-26 EP disclosed
CN-105452221-B Enantiomer separation and purification of 2,3,4, 9-tetrahydro-1H-carbazole-4-carboxamide derivatives 通用电气健康护理有限公司 2018-11-23 CN disclosed
EP-2552891-B1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LTD (GB) 2018-08-08 EP disclosed
US-9815785-B2 Enantiomeric separation and purification of 2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid amide derivatives GE HEALTHCARE LIMITED (GB) 2017-11-14 US disclosed
EP-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 EP disclosed
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-16 US disclosed
EP-3022178-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE Healthcare Limited (GB) 2016-05-25 EP disclosed
US-9314541-B2 In vivo imaging method for cancer GE HEALTHCARE LIMITED (GB) 2016-04-19 US disclosed
US-8790619-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2014-07-29 US disclosed
WO-2014083113-A1 CRYSTALLIZATION PROCESS OF TRICYCLIC INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2014-06-05 WO disclosed
WO-2014083113-A1 CRYSTALLIZATION PROCESS OF TRICYCLIC INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2014-06-05 WO disclosed
US-8501153-B2 Active enantiomer GE HEALTHCARE LIMITED (GB) 2013-08-06 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
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 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 (6 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 50/4885HCRTR1 465/4885HCRTR2 201/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSPO 13/4885HCRTR1 578/4885HCRTR2 452/4885
US-20110070161-A1 ACTIVE ENANTIOMER GABRA5, GABRP, GABRA4 TSPO 9/4885HCRTR1 442/4885HCRTR2 252/4885
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES IDO2, IDO1, TPH2 TSPO 3560/4885HCRTR1 470/4885HCRTR2 146/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 TSPO 72/4885HCRTR1 29/4885HCRTR2 16/4885
US-10709798-B2 Crystallization process of tricyclic indole derivatives IDO1, IDO2, TPH1 TSPO 3643/4885HCRTR1 421/4885HCRTR2 856/4885

“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.