SCHEMBL19472017

SCHEMBL19472017

Oc1cccc2nc3ccccc3c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 5/20 0.45
CASP1 P29466 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
RECQL P46063 2/20 0.45
TSHR P16473 2/20 0.45
APP P05067 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
SNCA P37840 1/20 0.45
KDM4E B2RXH2 5/20 0.43
ACHE P22303 2/20 0.43
MAOA P21397 2/20 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
SCHEMBL17066273 0.81 CYP1A2 (0.64) CYP1A2MAPTALDH1A1KMT2ARAB9A
Acridone SCHEMBL243819 0.80 KDM4E (0.56) CYP1A2MAPTALDH1A1KMT2ARAB9A
SCHEMBL28027778 0.79 ESR1 (0.50) CYP1A2MAPTALDH1A1KMT2ARAB9A
SCHEMBL8886826 0.78 CDK4 (0.50) MAPTALDH1A1KMT2ARAB9AGAA
Acridone SCHEMBL5719993 0.78 KDM4E (0.54) CYP1A2MAPTALDH1A1KMT2ARAB9A
Acridone SCHEMBL10800711 0.78 KDM4E (0.54) CYP1A2MAPTALDH1A1KMT2ARAB9A
Acridone SCHEMBL345058 0.78 ALDH1A1 (0.54) CYP1A2MAPTALDH1A1KMT2ARAB9A
Acridone SCHEMBL27574706 0.78 KDM4E (0.54) CYP1A2MAPTALDH1A1KMT2ARAB9A
Acridone SCHEMBL429571 0.78 ALDH1A1 (0.54) CYP1A2MAPTALDH1A1KMT2ARAB9A
SCHEMBL14917525 0.78 DHODH (0.53) CYP1A2MAPTALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479787-B2 Process for preparation of tetrabenazine and deutetrabenazine LUPIN LIMITED (IN) 2019-11-19 US claimed
US-20190135803-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE LUPIN LIMITED (IN) 2019-05-09 US claimed
US-20210230155-A1 PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE HETERO LABS LIMITED (IN) 2021-07-29 US disclosed
EP-3784238-A1 PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE Hetero Labs Ltd. (IN) 2021-03-03 EP disclosed
US-10479787-B2 Process for preparation of tetrabenazine and deutetrabenazine LUPIN LIMITED (IN) 2019-11-19 US disclosed
US-10479787-B2 Process for preparation of tetrabenazine and deutetrabenazine LUPIN LIMITED (IN) 2019-11-19 US disclosed
US-20190135803-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE LUPIN LIMITED (IN) 2019-05-09 US disclosed
US-20190135803-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE LUPIN LIMITED (IN) 2019-05-09 US disclosed
WO-2017182916-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE LUPIN LIMITED (IN) 2017-10-26 WO disclosed
WO-2017182916-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE LUPIN LIMITED (IN) 2017-10-26 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 (3 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-20190135803-A1 NOVEL PROCESS FOR PREPARATION OF TETRABENAZINE AND DEUTETRABENAZINE KAT5, KAT2A, KAT2B CYP1A2 113/4885MAPT 1647/4885ALDH1A1 627/4885
US-20210230155-A1 PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE CYP4B1, CYP1B1, UGT1A3 CYP1A2 21/4885MAPT 3133/4885ALDH1A1 482/4885
US-10479787-B2 Process for preparation of tetrabenazine and deutetrabenazine KAT5, KAT2A, KAT2B CYP1A2 142/4885MAPT 1505/4885ALDH1A1 659/4885

“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.