SCHEMBL379349

SCHEMBL379349

O=C1NC(=O)C2(Cc3ccc([N+](=O)[O-])cc3C2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.48
CRBN Q96SW2 1/20 0.47
AKR1B1 P15121 2/20 0.47
HTT P42858 1/20 0.44
PNMT P11086 5/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PGR P06401 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL12199731 0.83 CRBN (0.51) TDP2CRBNAKR1B1HTTPNMT
SCHEMBL260824 0.78 CRBN (0.53) TDP2CRBNHTTPNMTADRA2A
SCHEMBL13055192 0.76 CALCRL (0.44) AKR1B1ADRA2ACYP3A4MAPTCALCRL
SCHEMBL260822 0.75 TDP2 (0.47) TDP2CRBNHTTPNMTADRA2A
SCHEMBL2027990 0.75 MAPT (0.39) CRBNAKR1B1CYP3A4TDP1MEN1
SCHEMBL1727271 0.75 TDP2 (0.42) TDP2AKR1B1PNMTADRA2AADRA2B
SCHEMBL13192017 0.75 TDP2 (0.42) TDP2CRBNPNMTADRA2AADRA2B
SCHEMBL380001 0.75 CALCRL (0.41) TDP2CRBNTDP1MEN1LMNA
SCHEMBL12050215 0.74 LMNA (0.46) TDP2AKR1B1HTTPNMTADRA2A
SCHEMBL409009 0.73 TSHR (0.47) CRBNAKR1B1TDP1MAPTCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
EP-2339919-B1 BICYCLIC DIHYDROIMIDAZOLONE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-03-12 EP disclosed
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
US-8569291-B2 Bicyclic dihydroimidazolone CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569291-B2 Bicyclic dihydroimidazolone CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569291-B2 Bicyclic dihydroimidazolone CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-07-06 US disclosed
WO-2006031676-A2 TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO 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

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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 TDP2 3054/4885CRBN 1042/4885AKR1B1 567/4885
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists CALCRL, CALCR, CCKAR TDP2 3739/4885CRBN 2800/4885AKR1B1 880/4885

“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.