SCHEMBL409009

SCHEMBL409009

O=C1NC(=O)C2(Cc3ccccc3C2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRBN Q96SW2 6/20 0.45
AKR1B1 P15121 2/20 0.45
CACNA1F O60840 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
SCN1A P35498 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CACNA1D Q01668 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44

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
Tetrantoin SCHEMBL29582305 0.89 TSHR (0.54) TSHRTDP1CRBNAKR1B1ALDH1A1
Tetrantoin SCHEMBL79518 0.89 TSHR (0.54) TSHRTDP1CRBNAKR1B1ALDH1A1
SCHEMBL13791964 0.82 ATM (0.37) TSHRTDP1AKR1B1ALDH1A1
SCHEMBL12199729 0.80 TSHR (0.57) TSHRTDP1CRBNAKR1B1CACNA1F
SCHEMBL13055192 0.80 CALCRL (0.44) AKR1B1ALDH1A1MAPTCALCRLPDE7A
SCHEMBL23857468 0.79 PDE7A (0.44) TSHRTDP1CRBNAKR1B1DDB1
SCHEMBL7927641 0.79 PDE7A (0.43) TSHRTDP1CRBNAKR1B1DDB1
SCHEMBL7918149 0.79 PDE7A (0.42) TSHRTDP1CRBNAKR1B1DDB1
SCHEMBL13192017 0.78 TDP2 (0.42) TSHRTDP1CRBNCALCRLPDE7A
SCHEMBL1727271 0.78 TDP2 (0.42) AKR1B1CALCRLPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344158-A1 Use of isoQC inhibitors Probiodrug AG (DE) 2011-07-20 EP claimed
EP-2846798-B1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 US disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 US disclosed
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 US disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 US disclosed
EP-2686324-B1 PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
EP-1613368-A2 CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2006-01-11 EP disclosed
EP-1608627-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-28 EP disclosed
EP-1606286-A2 BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2005-12-21 EP disclosed
EP-1606264-A1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-21 EP disclosed
EP-1605936-A1 ARYL SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-21 EP disclosed
WO-2004087649-A2 BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-14 WO disclosed
WO-2004082605-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
WO-2004082678-A1 ARYL SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
WO-2004083187-A1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
WO-2004082602-A2 CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 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 (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-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885TDP1 3174/4885CRBN 4215/4885
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B TSHR 229/4885TDP1 4417/4885CRBN 3876/4885

“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.