SCHEMBL17536832

SCHEMBL17536832

O=C(CC1c2ccccc2-n2cncc21)C1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.69
L3MBTL1 Q9Y468 1/20 0.50
TDO2 P48775 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2B6 P20813 2/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TACR3 P29371 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL16135329 0.90 IDO1 (0.61) IDO1L3MBTL1TDO2CYP3A4CYP2D6
SCHEMBL19825140 0.85 TDO2 (0.54) IDO1L3MBTL1TDO2CYP3A4CYP2D6
SCHEMBL16135363 0.84 IDO1 (0.66) IDO1TDO2MAPTALDH1A1KDM4E
SCHEMBL16135335 0.83 IDO1 (0.98) IDO1TDO2CYP3A4CYP2D6CYP2B6
SCHEMBL16135357 0.83 IDO1 (0.61) IDO1L3MBTL1TDO2CYP3A4CYP2D6
SCHEMBL17552969 0.80 L3MBTL1 (0.45) IDO1L3MBTL1CYP3A4CYP2D6CYP2B6
SCHEMBL16135334 0.79 IDO1 (0.78) IDO1TDO2
SCHEMBL17665359 0.78 IDO1 (0.68) IDO1L3MBTL1TDO2CYP3A4CYP2D6
SCHEMBL16135365 0.76 IDO1 (0.72) IDO1TDO2MAPTALDH1A1
SCHEMBL16135367 0.76 IDO1 (0.72) IDO1L3MBTL1TDO2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3366678-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION Newlink Genetics Corporation (US) 2018-08-29 EP claimed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US claimed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP claimed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US claimed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US claimed
EP-3366678-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION Newlink Genetics Corporation (US) 2018-08-29 EP disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP disclosed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP disclosed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US disclosed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US disclosed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2016-03-03 US 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 (2 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-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization IDO1, IDO2, TDO2 IDO1 1/4885L3MBTL1 2248/4885TDO2 3/4885
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization IDO1, IDO2, TDO2 IDO1 1/4885L3MBTL1 2164/4885TDO2 3/4885

“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.