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Sugi Predict / Compounds / SCHEMBL1820339

SCHEMBL1820339

SCHEMBL1820339

CC(C)(C)OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 12/20 0.50
▸ RAMP1 O60894 5/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ NAMPT P43490 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCH P24723 1/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL2604336 0.90 CALCRL (0.58) CALCRLRAMP1MAPK1NAMPT
SCHEMBL12372577 0.89 MAPK1 (0.47) CALCRLRAMP1MAPK1NAMPTGPR119
SCHEMBL10330728 0.87 CALCRL (0.52) CALCRLRAMP1
SCHEMBL13884862 0.85 FPR2 (0.49) CALCRLRAMP1GPR119TP53
SCHEMBL12622797 0.85 CALCRL (0.52) CALCRLRAMP1
SCHEMBL30178610 0.84 ALDH1A1 (0.51) GPR119TP53
SCHEMBL13655717 0.83 CALCRL (0.52) CALCRLRAMP1
SCHEMBL30178430 0.83 GPR119 (0.49) CALCRLRAMP1GPR119TP53
SCHEMBL3256867 0.83 GPR119 (0.48) NAMPTGPR119TP53
SCHEMBL17525093 0.83 UCHL1 (0.46) CALCRLGPR119TP53PRKCGPRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 — — EP disclosed
EP-1641781-B1 Benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME (US) 2013-03-06 — — EP disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-7994325-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK SHARP & DOHME CORP. (US) 2011-08-09 — — US disclosed
US-7947678-B2 Heterocyclic benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 — — US disclosed
US-7947678-B2 Heterocyclic benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 — — US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 — — US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 — — WO disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 — — US disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 — — US disclosed
US-7196079-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO, INC. (US) 2007-03-27 — — US disclosed
US-7196079-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO, INC. (US) 2007-03-27 — — US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 — — US disclosed
US-20060148790-A1 Benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-07-06 — — US disclosed
EP-1615914-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-01-18 — — EP disclosed
WO-2004091514-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 — — 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-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 CALCRL 6/4885RAMP1 105/4885MAPK1 3186/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR CALCRL 1/4885RAMP1 84/4885MAPK1 3437/4885
US-20060148790-A1 Benzodiazepine cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 CALCRL 14/4885RAMP1 285/4885MAPK1 3201/4885

“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.